Mrv1718009011817152D 77 80 0 0 0 0 999 V2000 -1.4412 -0.1142 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4313 0.7553 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4574 -3.1115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4189 -2.6623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3961 -4.0282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6700 -3.1442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2724 -2.2913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2426 -4.7175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -0.5842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5739 -1.0595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9846 2.3853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0509 3.2615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4157 -2.6835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9954 5.7665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1221 -1.4188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8513 -2.7979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0551 -1.8701 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0827 -2.6343 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5537 -2.7421 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2644 -0.6017 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1268 -5.7205 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2621 1.1244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7872 2.0012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5846 -5.2075 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4197 2.4190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9378 -1.4849 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7097 -3.9257 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8830 -1.7476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4278 -1.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0074 -0.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2028 -0.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0639 -2.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4116 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6936 -1.4314 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0324 -3.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6836 -0.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2275 -3.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9820 -4.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8371 -3.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0453 -2.7336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8084 -3.1678 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1772 -4.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3380 -3.8003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9316 -5.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2644 -1.4608 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5557 -1.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8874 -2.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9814 -1.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6723 1.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0551 -4.5751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0032 0.6851 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7003 2.0156 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0095 -0.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5376 2.4178 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9870 -2.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2546 1.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1331 -1.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2658 1.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0445 2.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5620 3.8611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5034 0.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -3.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8242 4.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4992 -0.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2174 1.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5302 4.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8359 5.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2164 -0.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9346 0.6770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9378 -0.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2552 4.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5608 5.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2741 5.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2133 -4.4075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2798 -3.8011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3725 -5.7886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1939 -5.1006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 2 49 1 0 0 0 0 3 32 2 0 0 0 0 4 33 2 0 0 0 0 5 39 2 0 0 0 0 6 40 2 0 0 0 0 7 46 2 0 0 0 0 8 50 2 0 0 0 0 9 53 2 0 0 0 0 10 57 2 0 0 0 0 11 58 2 0 0 0 0 12 59 2 0 0 0 0 13 62 2 0 0 0 0 14 73 1 0 0 0 0 15 28 1 0 0 0 0 15 31 1 0 0 0 0 15 33 1 0 0 0 0 16 32 1 0 0 0 0 16 35 1 0 0 0 0 17 34 1 0 0 0 0 17 40 1 0 0 0 0 18 39 1 0 0 0 0 18 47 1 0 0 0 0 19 41 1 0 0 0 0 19 46 1 0 0 0 0 20 45 1 0 0 0 0 20 53 1 0 0 0 0 21 44 1 0 0 0 0 22 51 1 0 0 0 0 22 58 1 0 0 0 0 23 54 1 0 0 0 0 23 59 1 0 0 0 0 24 50 1 0 0 0 0 24 76 1 0 0 0 0 24 77 1 0 0 0 0 26 57 1 0 0 0 0 27 62 1 0 0 0 0 28 29 1 0 0 0 0 28 32 1 6 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 35 39 1 0 0 0 0 35 74 1 6 0 0 0 37 38 1 0 0 0 0 38 42 1 0 0 0 0 40 41 1 0 0 0 0 41 43 1 0 0 0 0 41 75 1 6 0 0 0 42 44 1 0 0 0 0 43 50 1 0 0 0 0 45 46 1 0 0 0 0 45 48 1 1 0 0 0 47 57 1 0 0 0 0 48 55 1 0 0 0 0 49 52 1 0 0 0 0 51 53 1 0 0 0 0 51 56 1 1 0 0 0 52 59 1 0 0 0 0 54 58 1 0 0 0 0 54 60 1 1 0 0 0 55 62 1 0 0 0 0 56 61 1 0 0 0 0 60 63 1 0 0 0 0 61 64 2 0 0 0 0 61 65 1 0 0 0 0 63 66 2 0 0 0 0 63 67 1 0 0 0 0 64 68 1 0 0 0 0 65 69 2 0 0 0 0 66 71 1 0 0 0 0 67 72 2 0 0 0 0 68 70 2 0 0 0 0 69 70 1 0 0 0 0 71 73 2 0 0 0 0 72 73 1 0 0 0 0 34 33 1 6 0 0 0 52 25 1 6 0 0 0 M END > DB14642 > drugbank > [H]N([H])C(=O)C[C@]1([H])NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@@H](N)CSSC[C@H](NC1=O)C(=O)N1CCC[C@H]1C(=O)NC([H])(CCCCN)C(=O)NCC(N)=O > InChI=1S/C46H65N13O12S2/c47-17-5-4-9-29(40(65)52-22-38(51)63)54-45(70)35-10-6-18-59(35)46(71)34-24-73-72-23-28(48)39(64)55-31(20-26-11-13-27(60)14-12-26)43(68)56-32(19-25-7-2-1-3-8-25)42(67)53-30(15-16-36(49)61)41(66)57-33(21-37(50)62)44(69)58-34/h1-3,7-8,11-14,28-35,60H,4-6,9-10,15-24,47-48H2,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,65)(H,53,67)(H,54,70)(H,55,64)(H,56,68)(H,57,66)(H,58,69)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1 > BJFIDCADFRDPIO-DZCXQCEKSA-N > C46H65N13O12S2 > 1056.23 > 1055.431706933 > 24 > 138 > 106.44501065024872 > 0 > 16 > 0 > 0 > (2S)-6-amino-2-({[(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-13-benzyl-6,9,12,15,18-pentahydroxy-10-[2-(C-hydroxycarbonimidoyl)ethyl]-7-[(C-hydroxycarbonimidoyl)methyl]-16-[(4-hydroxyphenyl)methyl]-1,2-dithia-5,8,11,14,17-pentaazacycloicosa-5,8,11,14,17-pentaene-4-carbonyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-N-[(C-hydroxycarbonimidoyl)methyl]hexanimidic acid > -1.14 > 2.27501405 > -4.33 > 1 > 4 > 2 > 3.284474022243784 > 2.8638192994836857 > 452.9500000000002 > 303.23409999999984 > 19 > 0 > 4.97e-02 g/l > (2S)-6-amino-2-({[(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-13-benzyl-6,9,12,15,18-pentahydroxy-10-[2-(C-hydroxycarbonimidoyl)ethyl]-7-(C-hydroxycarbonimidoylmethyl)-16-[(4-hydroxyphenyl)methyl]-1,2-dithia-5,8,11,14,17-pentaazacycloicosa-5,8,11,14,17-pentaene-4-carbonyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-N-(C-hydroxycarbonimidoylmethyl)hexanimidic acid > 0 > DB14642 > DBSALT002465 > approved > Lypressin > 8-L-lysinevasopressin; Lypressin; Lysine vasopressin; Vasopressin pig; Vasopressin, 8-L-lysine > Diapid $$$$