3-phenyl-2-[2-[2-(pyridin-3-ylcarbonylamino)-1,3-thiazol-4-yl]ethanoylamino]propanoic acid

Systemtic Name: 3-phenyl-2-[2-[2-(pyridin-3-ylcarbonylamino)-1,3-thiazol-4-yl]ethanoylamino]propanoic acid Openeye Name: 3-phenyl-2-[[2-[2-(pyridine-3-carbonylamino)thiazol-4-yl]acetyl]amino]propanoic acid CAS Name: 2-[[1-oxo-2-[2-[[oxo(3-pyridinyl)methyl]amino]-4-thiazolyl]ethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-[[2-[2-(pyridine-3-carbonylamino)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid Traditional Name: 2-[[2-(2-nicotinamidothiazol-4-yl)acetyl]amino]-3-phenyl-propionic acid Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CC2=CSC(=N2)NC(=O)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CC2=CSC(=N2)NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C20H18N4O4S/c25-17(23-16(19(27)28)9-13-5-2-1-3-6-13)10-15-12-29-20(22-15)24-18(26)14-7-4-8-21-11-14/h1-8,11-12,16H,9-10H2,(H,23,25)(H,27,28)(H,22,24,26)