(4S)-N-[(1R)-1-{[(1S,2R)-1-{[(1S)-1-{[(2R)-1-[(2R)-2-{[(1S)-4-amino-1-{[(2R,3S)-1-[(2R,5R,8R,11S,14Z,17S)-2-(aminomethyl)-11-benzyl-5-[(2S)-butan-2-yl]-14-ethylidene-3,6,9,12,15,18-hexaoxo-8,17-bis(propan-2-yl)-1,4,7,10,13,16-hexaazacyclooctadecan-1-yl]-3-methyl-1-oxopentan-2-yl]carbamoyl}butyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl}-2-methylpropyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-methylpropyl]-4-methylhexanamide

化合物标识与属性

PubChem CID

101501537

SMILES

CC[C@H](C)CCC(=O)N[C@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN)C(=O)N[C@H]([C@@H](C)CC)C(=O)N2[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N/C(=C\C)/C(=O)N[C@H](C2=O)C(C)C)CC3=CC=CC=C3)C(C)C)[C@@H](C)CC)CN

Canonical SMILES

C/C=C1\NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@@H](CN)N(C(=O)[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CC[C@@H](C)CC)C(C)C)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)CC)C(=O)[C@H](C(C)C)NC1=O