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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)N(C(CCCN)C(=O)S)C(=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)27(18(20(29)30)6-3-11-23)21-25-16-4-1-2-5-17(16)26-21/h1-2,4-5,7-10,15,18H,3,6,11-12,23-24H2,(H,25,26)(H,29,30)