3-[(3R,6S,9S,12S,15S,18S,21S,24R,27S,30S)-21-(2-amino-2-oxo-ethyl)-9-(3-aminopropyl)-3,24,27-tribenzyl-15-[(4-hydroxyphenyl)methyl]-6-isobutyl-12-isopropyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1,4,7,10,13,16,19,22,25,28-decazabicyclo[28.3.0]tritriacontan-18-yl]propanamide;(2R)-2-[[(2S)-2-[[2-[[(2S)-2-formamido-3-methyl-butanoyl]amino]acetyl]amino]propanoyl]amino]-N-[(1S)-2-[[(1R)-1-[[(1S)-1-[[(1R)-1-[[(1S)-2-[[(1R)-1-[[(1S)-2-[[(1R)-1-[[(1S)-2-[[(1R)-1-[[(1S)-2-(2-hydroxyethylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]amino]-1-methyl-2-oxo-ethyl]-4-methyl-pentanamide

化合物标识与属性

CAS

1404-88-2

PubChem CID

176450323

SMILES

C[C@@H](C(=N[C@H](CC(C)C)C(=N[C@@H](C)C(=N[C@H](C(C)C)C(=N[C@@H](C(C)C)C(=N[C@H](C(C)C)C(=N[C@@H](CC1=CNC2=CC=CC=C21)C(=N[C@H](CC(C)C)C(=N[C@@H](CC3=CNC4=CC=CC=C43)C(=N[C@H](CC(C)C)C(=N[C@@H](CC5=CNC6=CC=CC=C65)C(=N[C@H](CC(C)C)C(=N[C@@H](CC7=CNC8=CC=CC=C87)C(=NCCO)O)O)O)O)O)O)O)O)O)O)O)O)O)N=C(CN=C([C@H](C(C)C)N=CO)O)O.CC(C)C[C@H]1C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCN)C(C)C)CC3=CC=C(C=C3)O)CCC(=O)N)CC(=O)N)CC4=CC=CC=C4)CC5=CC=CC=C5)CC6=CC=CC=C6

Canonical SMILES

CC(C)C[C@@H](N=C(O)[C@H](C)N=C(O)CN=C(O)[C@@H](N=CO)C(C)C)C(O)=N[C@@H](C)C(O)=N[C@@H](C(O)=N[C@H](C(O)=N[C@@H](C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@H](CC(C)C)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@H](CC(C)C)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@H](CC(C)C)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=NCCO)C(C)C)C(C)C)C(C)C.CC(C)C[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC1=O