9804938 -OEChem-12211714313D 65 68 0 1 0 0 0 0 0999 V2000 -0.0887 -1.0103 2.1858 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2582 -2.0867 -1.4011 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1239 1.9519 2.1006 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9960 -2.0999 0.5356 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6413 0.2808 0.4019 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8510 -1.6786 -2.6865 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5692 1.6864 0.3766 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3559 4.8505 -0.8378 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5101 -2.9258 -0.2282 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7711 -1.6269 -0.0598 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1259 -2.7819 -0.5211 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4354 1.2311 1.1677 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4006 -2.3205 -1.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5935 2.4077 1.7045 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0593 -0.7682 0.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0427 3.2612 0.6411 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3426 -2.8109 0.6558 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6174 -2.0725 -0.5031 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1640 -2.2968 -0.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3155 3.0567 0.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5235 -1.6665 -1.4852 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5548 -2.0769 -2.4982 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4945 4.0769 -0.8586 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5343 4.3559 0.0771 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0413 -4.1996 1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6895 -1.8219 1.7726 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0552 -2.1479 0.8341 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8508 -1.3308 -1.1958 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3461 2.1130 0.2584 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6575 4.2010 -1.6272 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3802 -1.8151 1.1383 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -1.4130 0.1375 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5151 2.2246 -0.5033 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6662 3.2534 -1.4311 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7947 1.9996 0.9223 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0338 -0.9992 -0.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4277 -3.4147 -1.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 -3.4323 0.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 0.6957 2.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1914 2.0191 2.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2290 3.0468 2.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9844 -2.3237 1.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5961 0.4199 -0.6028 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8727 -2.1452 -3.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2564 -1.4288 -3.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4899 4.8373 0.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4411 1.7862 -0.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7439 -4.8994 0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9146 -4.6199 1.7398 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2220 -4.1678 1.9538 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6027 -2.1199 2.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8909 -1.7568 2.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8435 -0.8111 1.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3852 -2.4648 1.6278 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2006 5.6654 -1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5381 -1.0168 -1.9741 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2510 1.3081 0.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7238 -2.0204 -0.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3046 -3.5613 -0.9982 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7761 5.0016 -2.3497 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7234 -1.8711 2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2869 -1.1579 0.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3132 1.4994 -0.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5825 3.3211 -2.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4977 2.3213 0.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 19 2 0 0 0 0 3 35 2 0 0 0 0 4 10 1 0 0 0 0 4 19 1 0 0 0 0 4 42 1 0 0 0 0 5 12 1 0 0 0 0 5 15 1 0 0 0 0 5 43 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 6 45 1 0 0 0 0 7 12 1 0 0 0 0 7 35 1 0 0 0 0 7 47 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 8 55 1 0 0 0 0 9 17 1 0 0 0 0 9 58 1 0 0 0 0 9 59 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 14 1 0 0 0 0 12 39 1 0 0 0 0 13 18 1 0 0 0 0 13 22 2 0 0 0 0 14 16 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 16 20 1 0 0 0 0 16 24 2 0 0 0 0 17 19 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 18 21 1 0 0 0 0 18 27 2 0 0 0 0 20 23 1 0 0 0 0 20 29 2 0 0 0 0 21 28 2 0 0 0 0 22 44 1 0 0 0 0 23 30 2 0 0 0 0 24 46 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 31 1 0 0 0 0 27 54 1 0 0 0 0 28 32 1 0 0 0 0 28 56 1 0 0 0 0 29 33 1 0 0 0 0 29 57 1 0 0 0 0 30 34 1 0 0 0 0 30 60 1 0 0 0 0 31 32 2 0 0 0 0 31 61 1 0 0 0 0 32 62 1 0 0 0 0 33 34 2 0 0 0 0 33 63 1 0 0 0 0 34 64 1 0 0 0 0 35 65 1 0 0 0 0 M END > DB13074 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UJVDJAPJQWZRFR-DHIUTWEWSA-N/SDF?record_type=3d > CC(C)(N)C(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@H](CC1=CNC2=CC=CC=C12)NC=O > InChI=1S/C26H30N6O3/c1-26(2,27)25(35)31-22(11-16-13-28-20-9-5-3-7-18(16)20)24(34)32-23(30-15-33)12-17-14-29-21-10-6-4-8-19(17)21/h3-10,13-15,22-23,28-29H,11-12,27H2,1-2H3,(H,30,33)(H,31,35)(H,32,34)/t22-,23-/m1/s1 > UJVDJAPJQWZRFR-DHIUTWEWSA-N > C26H30N6O3 > 474.565 > 474.23793885 > 4 > 65 > 49.05044410326989 > 1 > 6 > 0 > 0 > (2R)-2-(2-amino-2-methylpropanamido)-3-(1H-indol-3-yl)-N-[(1R)-2-(1H-indol-3-yl)-1-formamidoethyl]propanamide > 1.77 > 1.671594392666667 > -4.89 > 1 > 4 > 1 > 12.839877778413875 > 12.403942706641235 > 8.34177611918684 > 144.9 > 133.13760000000002 > 9 > 0 > 6.16e-03 g/l > macimorelin > 0 $$$$