(4S)-4-[(4-cyclopentyloxy-6-phenyl-pyridin-2-yl)carbonylamino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[(4-cyclopentyloxy-6-phenyl-pyridin-2-yl)carbonylamino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[4-(cyclopentoxy)-6-phenyl-pyridine-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(4-cyclopentyloxy-6-phenyl-2-pyridinyl)-oxomethyl]amino]-5-(4-ethoxycarbonyl-1-piperazinyl)-5-oxopentanoic acid IUPAC Name: (4S)-4-[(4-cyclopentyloxy-6-phenylpyridine-2-carbonyl)amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid Traditional Name: (4S)-5-(4-carbethoxypiperazino)-4-[[4-(cyclopentoxy)-6-phenyl-picolinoyl]amino]-5-keto-valeric acid Formula: C29H36N4O7 MolecularWeight: 552.61874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=CC(=CC(=N2)C3=CC=CC=C3)OC4CCCC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)O)NC(=O)C2=CC(=CC(=N2)C3=CC=CC=C3)OC4CCCC4

InChI

InChI=1S/C29H36N4O7/c1-2-39-29(38)33-16-14-32(15-17-33)28(37)23(12-13-26(34)35)31-27(36)25-19-22(40-21-10-6-7-11-21)18-24(30-25)20-8-4-3-5-9-20/h3-5,8-9,18-19,21,23H,2,6-7,10-17H2,1H3,(H,31,36)(H,34,35)/t23-/m0/s1