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

Systemtic Name: 3-[[3-[(2-cyclopentyl-2-phenyl-ethanoyl)amino]-4-(4-cyclopropylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-[(2-cyclopentyl-2-phenyl-acetyl)amino]-4-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[3-[(2-cyclopentyl-1-oxo-2-phenylethyl)amino]-4-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-[(2-cyclopentyl-2-phenylacetyl)amino]-4-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-[(2-cyclopentyl-2-phenyl-acetyl)amino]-4-[4-(cyclopropanecarbonyl)piperazino]benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C36H41N5O5 MolecularWeight: 623.74124

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)C(=O)NC(CC(=O)O)C4=CN=CC=C4)N5CCN(CC5)C(=O)C6CC6

Isomeric SMILES

C1CCC(C1)C(C2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)C(=O)NC(CC(=O)O)C4=CN=CC=C4)N5CCN(CC5)C(=O)C6CC6

InChI

InChI=1S/C36H41N5O5/c42-32(43)22-29(28-11-6-16-37-23-28)38-34(44)27-14-15-31(40-17-19-41(20-18-40)36(46)26-12-13-26)30(21-27)39-35(45)33(25-9-4-5-10-25)24-7-2-1-3-8-24/h1-3,6-8,11,14-16,21,23,25-26,29,33H,4-5,9-10,12-13,17-20,22H2,(H,38,44)(H,39,45)(H,42,43)