3-(aminocarbonylamino)-3-(1H-benzimidazol-2-yl)-2-(phenylmethoxycarbonylamino)-2-(4-phenylphenyl)propanoic acid

Systemtic Name: 3-(aminocarbonylamino)-3-(1H-benzimidazol-2-yl)-2-(phenylmethoxycarbonylamino)-2-(4-phenylphenyl)propanoic acid Openeye Name: 3-(1H-benzimidazol-2-yl)-2-(benzyloxycarbonylamino)-2-(4-phenylphenyl)-3-ureido-propanoic acid CAS Name: 3-(1H-benzimidazol-2-yl)-3-(carbamoylamino)-2-(phenylmethoxycarbonylamino)-2-(4-phenylphenyl)propanoic acid IUPAC Name: 3-(1H-benzimidazol-2-yl)-3-(carbamoylamino)-2-(phenylmethoxycarbonylamino)-2-(4-phenylphenyl)propanoic acid Traditional Name: 3-(1H-benzimidazol-2-yl)-2-(benzyloxycarbonylamino)-2-(4-phenylphenyl)-3-ureido-propionic acid Formula: C31H27N5O5 MolecularWeight: 549.57658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(C2=CC=C(C=C2)C3=CC=CC=C3)(C(C4=NC5=CC=CC=C5N4)NC(=O)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(C2=CC=C(C=C2)C3=CC=CC=C3)(C(C4=NC5=CC=CC=C5N4)NC(=O)N)C(=O)O

InChI

InChI=1S/C31H27N5O5/c32-29(39)35-26(27-33-24-13-7-8-14-25(24)34-27)31(28(37)38,36-30(40)41-19-20-9-3-1-4-10-20)23-17-15-22(16-18-23)21-11-5-2-6-12-21/h1-18,26H,19H2,(H,33,34)(H,36,40)(H,37,38)(H3,32,35,39)