2-[(3-ethoxycarbonyl-1,3-thiazolidin-4-yl)carbonylamino]-3-[4-(pyridin-3-ylcarbonylamino)phenyl]propanoic acid

Systemtic Name: 2-[(3-ethoxycarbonyl-1,3-thiazolidin-4-yl)carbonylamino]-3-[4-(pyridin-3-ylcarbonylamino)phenyl]propanoic acid Openeye Name: 2-[(3-ethoxycarbonylthiazolidine-4-carbonyl)amino]-3-[4-(pyridine-3-carbonylamino)phenyl]propanoic acid CAS Name: 2-[[(3-ethoxycarbonyl-4-thiazolidinyl)-oxomethyl]amino]-3-[4-[[oxo(3-pyridinyl)methyl]amino]phenyl]propanoic acid IUPAC Name: 2-[(3-ethoxycarbonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[4-(pyridine-3-carbonylamino)phenyl]propanoic acid Traditional Name: 2-[(3-carbethoxythiazolidine-4-carbonyl)amino]-3-(4-nicotinamidophenyl)propionic acid Formula: C22H24N4O6S MolecularWeight: 472.51416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CSCC1C(=O)NC(CC2=CC=C(C=C2)NC(=O)C3=CN=CC=C3)C(=O)O

Isomeric SMILES

CCOC(=O)N1CSCC1C(=O)NC(CC2=CC=C(C=C2)NC(=O)C3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C22H24N4O6S/c1-2-32-22(31)26-13-33-12-18(26)20(28)25-17(21(29)30)10-14-5-7-16(8-6-14)24-19(27)15-4-3-9-23-11-15/h3-9,11,17-18H,2,10,12-13H2,1H3,(H,24,27)(H,25,28)(H,29,30)