3-[2-[2-(1H-benzimidazol-2-ylamino)ethylcarbamoylamino]ethanoylamino]-3-(4-phenylphenyl)propanoic acid

Systemtic Name: 3-[2-[2-(1H-benzimidazol-2-ylamino)ethylcarbamoylamino]ethanoylamino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 3-[[2-[2-(1H-benzimidazol-2-ylamino)ethylcarbamoylamino]acetyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 3-[[2-[[[2-(1H-benzimidazol-2-ylamino)ethylamino]-oxomethyl]amino]-1-oxoethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 3-[[2-[2-(1H-benzimidazol-2-ylamino)ethylcarbamoylamino]acetyl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 3-[[2-[2-(1H-benzimidazol-2-ylamino)ethylcarbamoylamino]acetyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C27H28N6O4 MolecularWeight: 500.54902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(CC(=O)O)NC(=O)CNC(=O)NCCNC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(CC(=O)O)NC(=O)CNC(=O)NCCNC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C27H28N6O4/c34-24(17-30-27(37)29-15-14-28-26-32-21-8-4-5-9-22(21)33-26)31-23(16-25(35)36)20-12-10-19(11-13-20)18-6-2-1-3-7-18/h1-13,23H,14-17H2,(H,31,34)(H,35,36)(H2,28,32,33)(H2,29,30,37)