3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-cyclopropyl-benzimidazol-5-yl]oxycarbonyl-phenyl-amino]propanoic acid

Systemtic Name: 3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-cyclopropyl-benzimidazol-5-yl]oxycarbonyl-phenyl-amino]propanoic acid Openeye Name: 3-(N-[2-[(4-carbamimidoylanilino)methyl]-1-cyclopropyl-benzimidazol-5-yl]oxycarbonylanilino)propanoic acid CAS Name: 3-(N-[[2-[(4-carbamimidoylanilino)methyl]-1-cyclopropyl-5-benzimidazolyl]oxy-oxomethyl]anilino)propanoic acid IUPAC Name: 3-(N-[2-[(4-carbamimidoylanilino)methyl]-1-cyclopropylbenzimidazol-5-yl]oxycarbonylanilino)propanoic acid Traditional Name: 3-(N-[2-[(4-amidinoanilino)methyl]-1-cyclopropyl-benzimidazol-5-yl]oxycarbonylanilino)propionic acid Formula: C28H28N6O4 MolecularWeight: 512.55972

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C3=C(C=C(C=C3)OC(=O)N(CCC(=O)O)C4=CC=CC=C4)N=C2CNC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

C1CC1N2C3=C(C=C(C=C3)OC(=O)N(CCC(=O)O)C4=CC=CC=C4)N=C2CNC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C28H28N6O4/c29-27(30)18-6-8-19(9-7-18)31-17-25-32-23-16-22(12-13-24(23)34(25)21-10-11-21)38-28(37)33(15-14-26(35)36)20-4-2-1-3-5-20/h1-9,12-13,16,21,31H,10-11,14-15,17H2,(H3,29,30)(H,35,36)