(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-4-[(6-phenyl-4-thiophen-3-yl-pyridin-2-yl)carbonylamino]pentanoic acid

Systemtic Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-4-[(6-phenyl-4-thiophen-3-yl-pyridin-2-yl)carbonylamino]pentanoic acid Openeye Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-4-[[6-phenyl-4-(3-thienyl)pyridine-2-carbonyl]amino]pentanoic acid CAS Name: (4S)-5-(4-ethoxycarbonyl-1-piperazinyl)-5-oxo-4-[[oxo-[6-phenyl-4-(3-thiophenyl)-2-pyridinyl]methyl]amino]pentanoic acid IUPAC Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-4-[(6-phenyl-4-thiophen-3-ylpyridine-2-carbonyl)amino]pentanoic acid Traditional Name: (4S)-5-(4-carbethoxypiperazino)-5-keto-4-[[6-phenyl-4-(3-thienyl)picolinoyl]amino]valeric acid Formula: C28H30N4O6S MolecularWeight: 550.626

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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)C4=CSC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H30N4O6S/c1-2-38-28(37)32-13-11-31(12-14-32)27(36)22(8-9-25(33)34)30-26(35)24-17-21(20-10-15-39-18-20)16-23(29-24)19-6-4-3-5-7-19/h3-7,10,15-18,22H,2,8-9,11-14H2,1H3,(H,30,35)(H,33,34)/t22-/m0/s1