3-[[3-[(2-cyclopentyl-2-phenyl-ethanoyl)amino]-4-(4-methoxycarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[3-[(2-cyclopentyl-2-phenyl-ethanoyl)amino]-4-(4-methoxycarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-[(2-cyclopentyl-2-phenyl-acetyl)amino]-4-(4-methoxycarbonylpiperazin-1-yl)benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[3-[(2-cyclopentyl-1-oxo-2-phenylethyl)amino]-4-(4-methoxycarbonyl-1-piperazinyl)phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-[(2-cyclopentyl-2-phenylacetyl)amino]-4-(4-methoxycarbonylpiperazin-1-yl)benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-(4-carbomethoxypiperazino)-3-[(2-cyclopentyl-2-phenyl-acetyl)amino]benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C34H39N5O6 MolecularWeight: 613.70336

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)NC(=O)C(C4CCCC4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)NC(=O)C(C4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C34H39N5O6/c1-45-34(44)39-18-16-38(17-19-39)29-14-13-25(32(42)36-27(21-30(40)41)26-12-7-15-35-22-26)20-28(29)37-33(43)31(24-10-5-6-11-24)23-8-3-2-4-9-23/h2-4,7-9,12-15,20,22,24,27,31H,5-6,10-11,16-19,21H2,1H3,(H,36,42)(H,37,43)(H,40,41)