S-(1H-benzimidazol-2-yl) 5-azanyl-2-[[2-azanyl-3-(4-fluorophenyl)propanoyl]amino]pentanethioate

Systemtic Name: S-(1H-benzimidazol-2-yl) 5-azanyl-2-[[2-azanyl-3-(4-fluorophenyl)propanoyl]amino]pentanethioate Openeye Name: S-(1H-benzimidazol-2-yl) 5-amino-2-[[2-amino-3-(4-fluorophenyl)propanoyl]amino]pentanethioate CAS Name: 5-amino-2-[[2-amino-3-(4-fluorophenyl)-1-oxopropyl]amino]pentanethioic acid S-(1H-benzimidazol-2-yl) ester IUPAC Name: S-(1H-benzimidazol-2-yl) 5-amino-2-[[2-amino-3-(4-fluorophenyl)propanoyl]amino]pentanethioate Traditional Name: 5-amino-2-[[2-amino-3-(4-fluorophenyl)propanoyl]amino]pentanethioic acid S-(1H-benzimidazol-2-yl) ester Formula: C21H24FN5O2S MolecularWeight: 429.510963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SC(=O)C(CCCN)NC(=O)C(CC3=CC=C(C=C3)F)N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SC(=O)C(CCCN)NC(=O)C(CC3=CC=C(C=C3)F)N

InChI

InChI=1S/C21H24FN5O2S/c22-14-9-7-13(8-10-14)12-15(24)19(28)25-18(6-3-11-23)20(29)30-21-26-16-4-1-2-5-17(16)27-21/h1-2,4-5,7-10,15,18H,3,6,11-12,23-24H2,(H,25,28)(H,26,27)