N-[(1S)-3-AMINO-1-{[(1S,2R)-1-{[(1S)-3-AMINO-1-{[(3S,6S,9S,12S,15R,18R,21S)-6,9,18-TRIS(2-AMINOETHYL)-15-BENZYL-3-[(1R)-1-HYDROXYETHYL]-12-(2-METHYLPROPYL)-2,5,8,11,14,17,20-HEPTAOXO-1,4,7,10,13,16,19-HEPTAAZACYCLOTRICOSAN-21-YL]CARBAMOYL}PROPYL]CARBAMOYL}-2-HYDROXYPROPYL]CARBAMOYL}PROPYL]-6-METHYLOCTANAMIDE; SULFURIC ACID

化合物标识与属性

CAS

1405-20-5

PubChem CID

165845558

SMILES

CCC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)NC1CCNC(=O)C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(NC1=O)CCN)CC2=CC=CC=C2)CC(C)C)CCN)CCN)[C@@H](C)O.OS(=O)(=O)O

Canonical SMILES

CCC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)NC1CCNC(=O)C([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)C(CCN)NC1=O)[C@@H](C)O.O=S(=O)(O)O