(2S)-1-[(2S)-6-amino-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-{[(5S,8S,11S,14S,17S,20S,23S)-20-(3-carbamimidamidopropyl)-8-(2-carbamoylethyl)-5-(hydroxymethyl)-17-[(4-hydroxyphenyl)methyl]-14-isopropyl-11-(2-methylpropyl)-3,6,9,12,15,18,21,26-octaoxo-1,4,7,10,13,16,19,22-octaazacyclohexacosan-23-yl]formamido}-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]acetamido}-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanamido]-3-carbamoylpropanamido]-3-methylbutanamido]-3-methylpentanamido]hexanoyl]pyrrolidine-2-carboxylic acid

Compound Identifiers & Properties

CAS

732286-09-8

PubChem CID

170924156

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC2=CNC=N2)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@@H]5CCC(=O)NCC(=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)N5)CCCNC(=N)N)CC6=CC=C(C=C6)O)C(C)C)CC(C)C)CCC(=O)N)CO

Canonical SMILES

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(C)C)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)O