S-(1H-benzimidazol-2-yl) 5-azanyl-2-[(2-azanyl-4-phenyl-butanoyl)-methyl-amino]pentanethioate

Systemtic Name: S-(1H-benzimidazol-2-yl) 5-azanyl-2-[(2-azanyl-4-phenyl-butanoyl)-methyl-amino]pentanethioate Openeye Name: S-(1H-benzimidazol-2-yl) 5-amino-2-[(2-amino-4-phenyl-butanoyl)-methyl-amino]pentanethioate CAS Name: 5-amino-2-[(2-amino-1-oxo-4-phenylbutyl)-methylamino]pentanethioic acid S-(1H-benzimidazol-2-yl) ester IUPAC Name: S-(1H-benzimidazol-2-yl) 5-amino-2-[(2-amino-4-phenylbutanoyl)-methylamino]pentanethioate Traditional Name: 5-amino-2-[(2-amino-4-phenyl-butanoyl)-methyl-amino]pentanethioic acid S-(1H-benzimidazol-2-yl) ester Formula: C23H29N5O2S MolecularWeight: 439.57366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O2S/c1-28(21(29)17(25)14-13-16-8-3-2-4-9-16)20(12-7-15-24)22(30)31-23-26-18-10-5-6-11-19(18)27-23/h2-6,8-11,17,20H,7,12-15,24-25H2,1H3,(H,26,27)