Mrv2304 09292320552D 74 74 0 0 1 0 999 V2000 -5.0882 -21.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4345 -21.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6718 -21.2207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0180 -21.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2554 -21.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6016 -21.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8389 -21.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1852 -22.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5775 -21.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2312 -22.2901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9939 -21.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6477 -22.4788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4103 -22.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0641 -22.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9551 -23.4853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8268 -22.3530 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4805 -22.8562 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3715 -23.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0253 -24.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9163 -24.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1536 -25.3095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5701 -25.4983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2432 -22.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3521 -21.7239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8969 -23.0449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6596 -22.7304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7686 -21.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3134 -23.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2044 -24.0514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0760 -22.9191 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7298 -23.4224 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6208 -24.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2746 -24.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8581 -24.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4925 -23.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6014 -22.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1462 -23.6111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9089 -23.2966 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0179 -22.4788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7805 -22.1643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5626 -23.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4537 -24.6176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3253 -23.4853 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9791 -23.9885 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8701 -24.8063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5238 -25.3095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2865 -24.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4149 -26.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7417 -23.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8507 -22.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3955 -24.1772 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1582 -23.8627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2671 -23.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6134 -22.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7223 -21.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0686 -21.2207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1776 -20.4029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8119 -24.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7030 -25.1837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5746 -24.0514 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7684 -23.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5910 -23.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9055 -23.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2774 -24.4836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3408 -25.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0849 -25.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6602 -25.7724 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7236 -26.5949 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0430 -27.0612 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1064 -27.8837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2989 -26.7048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4677 -26.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1483 -26.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5312 -27.7738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 16 1 6 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 17 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 25 1 0 0 0 0 26 27 1 1 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 31 30 1 6 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 31 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 38 37 1 1 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 38 41 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 44 43 1 6 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 44 49 1 0 0 0 0 49 50 2 0 0 0 0 49 51 1 0 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 52 58 1 0 0 0 0 58 59 2 0 0 0 0 58 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 64 63 1 0 0 0 0 64 60 1 0 0 0 0 64 65 1 1 0 0 0 65 66 2 0 0 0 0 65 67 1 0 0 0 0 68 67 1 6 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 71 1 1 0 0 0 68 72 1 0 0 0 0 72 73 1 0 0 0 0 72 74 2 0 0 0 0 M END > DB18564 > drugbank > CCCCCCCCCCCCCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(O)=O > InChI=1S/C51H91N9O14/c1-8-9-10-11-12-13-14-15-16-17-18-24-40(63)54-35(25-26-41(64)65)45(67)53-33(6)44(66)58-42(32(4)5)49(71)57-38(30-61)47(69)56-37(29-31(2)3)46(68)55-36(22-19-20-27-52)50(72)60-28-21-23-39(60)48(70)59-43(34(7)62)51(73)74/h31-39,42-43,61-62H,8-30,52H2,1-7H3,(H,53,67)(H,54,63)(H,55,68)(H,56,69)(H,57,71)(H,58,66)(H,59,70)(H,64,65)(H,73,74)/t33-,34+,35-,36-,37-,38-,39+,42-,43-/m0/s1 > JIZVBWPFTIJRJW-XXNHCHLUSA-N > C51H91N9O14 > 1054.338 > 1053.668548646 > 15 > 165 > 8.968785269408448 > 114.7634358305224 > 0 > 12 > 0 > 0 > (4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(2S)-6-amino-1-[(2S)-2-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}-3-methylbutyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-4-tetradecanamidobutanoic acid > -1.6598921964245972 > 0 > -1 > 1 > -1 > 4.318946136342948 > 3.5586895692500646 > 10.202746736169255 > 365.09 > 272.22790000000015 > 39 > 0 > (4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(2S)-6-amino-1-[(2S)-2-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}-3-methylbutyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-4-tetradecanamidobutanoic acid > 0 > DB18564 > investigational > YT-001 > L-Threonine, N-(1-oxotetradecyl)-L-α-glutamyl-L-alanyl-L-valyl-L-seryl-L-leucyl-L-lysyl-L-prolyl-; N-myristoylated -Glu-Ala-Val-Ser-Leu-Lys-Pro-Thr $$$$