(2R)-2-{2-[(2R)-2-[(2R)-2-[(2R,3R)-2-[(2R)-2-{[(1R,4R,7R,8R,11S,14R,17S,20R)-7-[(2R)-2-[(2R)-2-[(2R)-2-{[(3S,9R,12R,15R,21R,22R)-21-[(2R)-2-{[(6S,9R,10R,15aR)-10-[(3S,6R,12R,15R)-15-[(2Z)-2-[(2R,3R)-2-amino-3-methylpentanamido]but-2-enamido]-12-[(2R)-butan-2-yl]-9-methylidene-6-(2-methylpropyl)-5,8,11,14-tetraoxo-1-thia-4,7,10,13-tetraazacyclohexadecane-3-amido]-9-methyl-1,4,11-trioxo-decahydro-2H-pyrrolo[2,1-i]1-thia-4,7,10-triazacyclotridecan-6-yl]formamido}-6-aminohexanamido]-15,22-dimethyl-12-(2-methylpropyl)-9-[2-(methylsulfanyl)ethyl]-5,8,11,14,17,20-hexaoxo-1-thia-4,7,10,13,16,19-hexaazacyclodocosan-3-yl]formamido}-3-carbamoylpropanamido]-4-(methylsulfanyl)butanamido]-6-aminohexanamido]-14-(1H-imidazol-4-ylmethyl)-4,8,20-trimethyl-3,6,12,15,21-pentaoxo-9,19-dithia-2,5,13,16,22-pentaazabicyclo[9.9.2]docosan-17-yl]formamido}-3-hydroxypropanamido]-3-methylpentanamido]-3-(1H-imidazol-

Compound Identifiers & Properties

CAS

1414-45-5

PubChem CID

170922434

SMILES

CC[C@@H](C)[C@@H]1C(=O)NC(=C)C(=O)N[C@@H](C(=O)N[C@H](CSC[C@@H](C(=O)N1)NC(=O)C(=CC)NC(=O)[C@@H]([C@H](C)CC)N)C(=O)N[C@H]2[C@H](SC[C@@H](NC(=O)CNC(=O)[C@H]3CCCN3C2=O)C(=O)N[C@H](CCCCN)C(=O)N[C@H]4[C@H](SC[C@@H](NC(=O)CNC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)CNC4=O)C)CC(C)C)CCSC)C(=O)N[C@H](CC(=O)N)C(=O)N[C@H](CCSC)C(=O)N[C@H](CCCCN)C(=O)N[C@H]5[C@H](SC[C@@H]6C(=O)N[C@@H](C(=O)N[C@H](CS[C@@H]([C@@H](C(=O)N6)NC(=O)[C@H](NC5=O)C)C)C(=O)N[C@H](CO)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@H](CC7=CNC=N7)C(=O)N[C@H](C(C)C)C(=O)NC(=C)C(=O)N[C@H](CCCCN)C(=O)O)CC8=CNC=N8)C)C)C)CC(C)C

Canonical SMILES

C=C(NC(=O)[C@H](NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@H](NC(=O)[C@@H](CO)NC(=O)[C@H]1CS[C@H](C)[C@@H]2NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCSC)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H]3CS[C@H](C)[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H]4CS[C@H](C)[C@H](NC(=O)[C@H]5CSC[C@H](NC(=O)C(=CC)NC(=O)[C@H](N)[C@H](C)CC)C(=O)N[C@H]([C@H](C)CC)C(=O)NC(=C)C(=O)N[C@H](CC(C)C)C(=O)N5)C(=O)N5CCC[C@@H]5C(=O)NCC(=O)N4)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCSC)C(=O)NCC(=O)N3)[C@@H](C)SC[C@@H](NC2=O)C(=O)N[C@H](Cc2c[nH]cn2)C(=O)N1)[C@H](C)CC)C(C)C)C(=O)N[C@H](CCCCN)C(=O)O