S-(1H-benzimidazol-2-yl) 6-azanyl-2-[(2-azanyl-4-phenyl-butanoyl)-methyl-amino]hexanethioate

Systemtic Name: S-(1H-benzimidazol-2-yl) 6-azanyl-2-[(2-azanyl-4-phenyl-butanoyl)-methyl-amino]hexanethioate Openeye Name: S-(1H-benzimidazol-2-yl) 6-amino-2-[(2-amino-4-phenyl-butanoyl)-methyl-amino]hexanethioate CAS Name: 6-amino-2-[(2-amino-1-oxo-4-phenylbutyl)-methylamino]hexanethioic acid S-(1H-benzimidazol-2-yl) ester IUPAC Name: S-(1H-benzimidazol-2-yl) 6-amino-2-[(2-amino-4-phenylbutanoyl)-methylamino]hexanethioate Traditional Name: 6-amino-2-[(2-amino-4-phenyl-butanoyl)-methyl-amino]hexanethioic acid S-(1H-benzimidazol-2-yl) ester Formula: C24H31N5O2S MolecularWeight: 453.60024

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CCCCN)C(=O)SC1=NC2=CC=CC=C2N1)C(=O)C(CCC3=CC=CC=C3)N

Isomeric SMILES

CN(C(CCCCN)C(=O)SC1=NC2=CC=CC=C2N1)C(=O)C(CCC3=CC=CC=C3)N

InChI

InChI=1S/C24H31N5O2S/c1-29(22(30)18(26)15-14-17-9-3-2-4-10-17)21(13-7-8-16-25)23(31)32-24-27-19-11-5-6-12-20(19)28-24/h2-6,9-12,18,21H,7-8,13-16,25-26H2,1H3,(H,27,28)