(2S)-N-[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-5-amino-1-{[(1S,2S)-1-{[(1S)-1-{[(4R,7S,10S,13S,16S,19S,22R)-7,19-bis(4-aminobutyl)-16-[(2S)-butan-2-yl]-10-(3-carbamimidamidopropyl)-4-carbamoyl-13-[(1R)-1-hydroxyethyl]-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexaazacyclotricosan-22-yl]carbamoyl}-2-phenylethyl]carbamoyl}-2-methylbutyl]carbamoyl}pentyl]carbamoyl}pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamoyl}-2-phenylethyl]-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]-4-methylpentanamido]propanamido]acetamido}-4-methylpentanamido]propanamido]propanamido]butanediamide

化合物标识与属性

PubChem CID

177556704

SMILES

CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CCCCN)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC6=CC=CC=C6)N)C(=O)N)CCCCN)CCCNC(=N)N)[C@@H](C)O

Canonical SMILES

CC[C@H](C)[C@@H]1NC(=O)C(CCCCN)NC(=O)C(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)CC)CSSCC(C(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC1=O