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

Systemtic Name: 3-[2-[3-(1H-benzimidazol-2-ylamino)propylcarbamoylamino]ethanoylamino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 3-[[2-[3-(1H-benzimidazol-2-ylamino)propylcarbamoylamino]acetyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 3-[[2-[[[3-(1H-benzimidazol-2-ylamino)propylamino]-oxomethyl]amino]-1-oxoethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 3-[[2-[3-(1H-benzimidazol-2-ylamino)propylcarbamoylamino]acetyl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 3-[[2-[3-(1H-benzimidazol-2-ylamino)propylcarbamoylamino]acetyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C28H30N6O4 MolecularWeight: 514.5756

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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)NCCCNC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(CC(=O)O)NC(=O)CNC(=O)NCCCNC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C28H30N6O4/c35-25(18-31-28(38)30-16-6-15-29-27-33-22-9-4-5-10-23(22)34-27)32-24(17-26(36)37)21-13-11-20(12-14-21)19-7-2-1-3-8-19/h1-5,7-14,24H,6,15-18H2,(H,32,35)(H,36,37)(H2,29,33,34)(H2,30,31,38)