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

Systemtic Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-4-[(6-phenyl-4-phenylsulfanyl-pyridin-2-yl)carbonylamino]pentanoic acid Openeye Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-4-[(6-phenyl-4-phenylsulfanyl-pyridine-2-carbonyl)amino]pentanoic acid CAS Name: (4S)-5-(4-ethoxycarbonyl-1-piperazinyl)-5-oxo-4-[[oxo-[6-phenyl-4-(phenylthio)-2-pyridinyl]methyl]amino]pentanoic acid IUPAC Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-4-[(6-phenyl-4-phenylsulfanylpyridine-2-carbonyl)amino]pentanoic acid Traditional Name: (4S)-5-(4-carbethoxypiperazino)-5-keto-4-[[6-phenyl-4-(phenylthio)picolinoyl]amino]valeric acid Formula: C30H32N4O6S MolecularWeight: 576.66328

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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)SC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)O)NC(=O)C2=CC(=CC(=N2)C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C30H32N4O6S/c1-2-40-30(39)34-17-15-33(16-18-34)29(38)24(13-14-27(35)36)32-28(37)26-20-23(41-22-11-7-4-8-12-22)19-25(31-26)21-9-5-3-6-10-21/h3-12,19-20,24H,2,13-18H2,1H3,(H,32,37)(H,35,36)/t24-/m0/s1