3-[1-phenethyl-5-[[4-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]phenyl]carbonylamino]benzimidazol-2-yl]propanoate

Systemtic Name: 3-[1-phenethyl-5-[[4-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]phenyl]carbonylamino]benzimidazol-2-yl]propanoate Openeye Name: 3-[5-[[4-[(E)-N'-benzyloxycarbonylcarbamimidoyl]benzoyl]amino]-1-phenethyl-benzimidazol-2-yl]propanoate CAS Name: 3-[5-[[[4-[(E)-amino(phenylmethoxycarbonylimino)methyl]phenyl]-oxomethyl]amino]-1-phenethyl-2-benzimidazolyl]propanoate IUPAC Name: 3-[1-phenethyl-5-[[4-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]benzoyl]amino]benzimidazol-2-yl]propanoate Traditional Name: 3-[5-[[4-[(E)-N'-carbobenzoxyamidino]benzoyl]amino]-1-phenethyl-benzimidazol-2-yl]propionate Formula: C34H30N5O5- MolecularWeight: 588.6325

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=C(C=C(C=C3)NC(=O)C4=CC=C(C=C4)C(=NC(=O)OCC5=CC=CC=C5)N)N=C2CCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=C(C=C(C=C3)NC(=O)C4=CC=C(C=C4)/C(=N\C(=O)OCC5=CC=CC=C5)/N)N=C2CCC(=O)[O-]

InChI

InChI=1S/C34H31N5O5/c35-32(38-34(43)44-22-24-9-5-2-6-10-24)25-11-13-26(14-12-25)33(42)36-27-15-16-29-28(21-27)37-30(17-18-31(40)41)39(29)20-19-23-7-3-1-4-8-23/h1-16,21H,17-20,22H2,(H,36,42)(H,40,41)(H2,35,38,43)/p-1