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

Systemtic Name: (4S)-4-[(6-chloranyl-4-phenyl-pyridin-2-yl)carbonylamino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[(6-chloro-4-phenyl-pyridine-2-carbonyl)amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(6-chloro-4-phenyl-2-pyridinyl)-oxomethyl]amino]-5-(4-ethoxycarbonyl-1-piperazinyl)-5-oxopentanoic acid IUPAC Name: (4S)-4-[(6-chloro-4-phenylpyridine-2-carbonyl)amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid Traditional Name: (4S)-5-(4-carbethoxypiperazino)-4-[(6-chloro-4-phenyl-picolinoyl)amino]-5-keto-valeric acid Formula: C24H27ClN4O6 MolecularWeight: 502.94738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27ClN4O6/c1-2-35-24(34)29-12-10-28(11-13-29)23(33)18(8-9-21(30)31)27-22(32)19-14-17(15-20(25)26-19)16-6-4-3-5-7-16/h3-7,14-15,18H,2,8-13H2,1H3,(H,27,32)(H,30,31)/t18-/m0/s1