(2S)-2-amino-3-{[(1S)-1-{[(6S,9Z,12S,13S,21S,24S,27S,28R,31S,32R)-13,32-dihydroxy-3-[(1S)-1-hydroxy-2-methylpropyl]-24-[(1S)-1-hydroxyethyl]-6-[1-(1H-indol-3-yl)ethyl]-9-(1H-indol-3-ylmethylidene)-21,28-dimethyl-2,5,8,11,17,20,23,26,30-nonaoxo-29-oxa-1,4,7,10,16,19,22,25-octaazatricyclo[29.3.0.0(1)(2),(1)?]tetratriacontan-27-yl]carbamoyl}-2-hydroxyethyl]carbamoyl}propanoic acid

化合物标识与属性

CAS

19246-24-3

PubChem CID

170919769

SMILES

C[C@@H]1[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N2CC[C@@H]([C@H]2C(=O)NC(=CC3=CNC4=CC=CC=C43)C(=O)N[C@H](C(=O)NC(C(=O)N5CC[C@H]([C@H]5C(=O)O1)O)[C@H](C(C)C)O)C(C)C6=CNC7=CC=CC=C76)O)C)[C@H](C)O)NC(=O)[C@H](CO)NC(=O)C[C@@H](C(=O)O)N

Canonical SMILES

CC(C)[C@H](O)C1NC(=O)[C@H](C(C)c2c[nH]c3ccccc23)NC(=O)C(=Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)CNC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)C[C@H](N)C(=O)O)[C@@H](C)OC(=O)[C@@H]2[C@H](O)CCN2C1=O