(2S,3R)-3-methyl-2-[2-(2-phenyl-1,3-thiazol-4-yl)ethanoylamino]pentanoic acid

Systemtic Name: (2S,3R)-3-methyl-2-[2-(2-phenyl-1,3-thiazol-4-yl)ethanoylamino]pentanoic acid Openeye Name: (2S,3R)-3-methyl-2-[[2-(2-phenylthiazol-4-yl)acetyl]amino]pentanoic acid CAS Name: (2S,3R)-3-methyl-2-[[1-oxo-2-(2-phenyl-4-thiazolyl)ethyl]amino]pentanoic acid IUPAC Name: (2S,3R)-3-methyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid Traditional Name: (2S,3R)-3-methyl-2-[[2-(2-phenylthiazol-4-yl)acetyl]amino]valeric acid Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CC1=CSC(=N1)C2=CC=CC=C2

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)O)NC(=O)CC1=CSC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C17H20N2O3S/c1-3-11(2)15(17(21)22)19-14(20)9-13-10-23-16(18-13)12-7-5-4-6-8-12/h4-8,10-11,15H,3,9H2,1-2H3,(H,19,20)(H,21,22)/t11-,15+/m1/s1