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

Systemtic Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-4-[(6-phenyl-4-propan-2-ylsulfanyl-pyridin-2-yl)carbonylamino]pentanoic acid Openeye Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[(4-isopropylsulfanyl-6-phenyl-pyridine-2-carbonyl)amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-(4-ethoxycarbonyl-1-piperazinyl)-5-oxo-4-[[oxo-[6-phenyl-4-(propan-2-ylthio)-2-pyridinyl]methyl]amino]pentanoic acid IUPAC Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-4-[(6-phenyl-4-propan-2-ylsulfanylpyridine-2-carbonyl)amino]pentanoic acid Traditional Name: (4S)-5-(4-carbethoxypiperazino)-4-[[4-(isopropylthio)-6-phenyl-picolinoyl]amino]-5-keto-valeric acid Formula: C27H34N4O6S MolecularWeight: 542.64706

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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)SC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O6S/c1-4-37-27(36)31-14-12-30(13-15-31)26(35)21(10-11-24(32)33)29-25(34)23-17-20(38-18(2)3)16-22(28-23)19-8-6-5-7-9-19/h5-9,16-18,21H,4,10-15H2,1-3H3,(H,29,34)(H,32,33)/t21-/m0/s1