(3S)-3,6-diamino-N-{[(2S,5S,8E,11S,15S)-15-amino-8-[(carbamoylamino)methylidene]-11-[(4R)-2-imino-1,3-diazinan-4-yl]-2-methyl-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-5-yl]methyl}hexanamide; (3S)-3,6-diamino-N-{[(2S,5S,8E,11S,15S)-15-amino-8-[(carbamoylamino)methylidene]-2-(hydroxymethyl)-11-[(4R)-2-imino-1,3-diazinan-4-yl]-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-5-yl]methyl}hexanamide

Compound Identifiers & Properties

CAS

11003-38-6

PubChem CID

170923265

SMILES

C[C@H]1C(=O)N[C@H](C(=O)NC(=CNC(=O)N)C(=O)N[C@H](C(=O)NC[C@@H](C(=O)N1)N)[C@H]2CCN=C(N2)N)CNC(=O)C[C@H](CCCN)N.C1CN=C(N[C@H]1[C@H]2C(=O)NC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(=CNC(=O)N)C(=O)N2)CNC(=O)C[C@H](CCCN)N)CO)N)N

Canonical SMILES

C[C@@H]1NC(=O)[C@@H](N)CNC(=O)[C@H]([C@H]2CCN=C(N)N2)NC(=O)C(=CNC(N)=O)NC(=O)[C@H](CNC(=O)C[C@@H](N)CCCN)NC1=O.NCCC[C@H](N)CC(=O)NC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](N)CNC(=O)[C@H]([C@H]2CCN=C(N)N2)NC(=O)C(=CNC(N)=O)NC1=O