2-acetamido-2-[2-(1H-benzimidazol-2-ylamino)ethoxycarbonylamino]-3-(4-phenylphenyl)propanoic acid

Systemtic Name: 2-acetamido-2-[2-(1H-benzimidazol-2-ylamino)ethoxycarbonylamino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 2-acetamido-2-[2-(1H-benzimidazol-2-ylamino)ethoxycarbonylamino]-3-(4-phenylphenyl)propanoic acid CAS Name: 2-acetamido-2-[[2-(1H-benzimidazol-2-ylamino)ethoxy-oxomethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 2-acetamido-2-[2-(1H-benzimidazol-2-ylamino)ethoxycarbonylamino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 2-acetamido-2-[2-(1H-benzimidazol-2-ylamino)ethoxycarbonylamino]-3-(4-phenylphenyl)propionic acid Formula: C27H27N5O5 MolecularWeight: 501.53378

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=C(C=C1)C2=CC=CC=C2)(C(=O)O)NC(=O)OCCNC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(=O)NC(CC1=CC=C(C=C1)C2=CC=CC=C2)(C(=O)O)NC(=O)OCCNC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C27H27N5O5/c1-18(33)31-27(24(34)35,17-19-11-13-21(14-12-19)20-7-3-2-4-8-20)32-26(36)37-16-15-28-25-29-22-9-5-6-10-23(22)30-25/h2-14H,15-17H2,1H3,(H,31,33)(H,32,36)(H,34,35)(H2,28,29,30)