methyl 3-[[1-(1-azanyl-1-oxidanylidene-4-phenyl-butan-2-yl)-2-(4-carbamimidoylphenyl)benzimidazol-5-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[1-(1-azanyl-1-oxidanylidene-4-phenyl-butan-2-yl)-2-(4-carbamimidoylphenyl)benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(1-carbamoyl-3-phenyl-propyl)benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[1-(1-amino-1-oxo-4-phenylbutan-2-yl)-2-(4-carbamimidoylphenyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[1-(1-amino-1-oxo-4-phenylbutan-2-yl)-2-(4-carbamimidoylphenyl)benzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-1-(1-carbamoyl-3-phenyl-propyl)benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C29H30N6O4 MolecularWeight: 526.5863

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)C(CCC4=CC=CC=C4)C(=O)N

Isomeric SMILES

COC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)C(CCC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C29H30N6O4/c1-39-25(36)15-16-33-29(38)21-12-14-23-22(17-21)34-28(20-10-8-19(9-11-20)26(30)31)35(23)24(27(32)37)13-7-18-5-3-2-4-6-18/h2-6,8-12,14,17,24H,7,13,15-16H2,1H3,(H3,30,31)(H2,32,37)(H,33,38)