(2S,3S)-3-methyl-2-[(3-methylthiophen-2-yl)carbonylamino]pentanoic acid

Systemtic Name: (2S,3S)-3-methyl-2-[(3-methylthiophen-2-yl)carbonylamino]pentanoic acid Openeye Name: (2S,3S)-3-methyl-2-[(3-methylthiophene-2-carbonyl)amino]pentanoic acid CAS Name: (2S,3S)-3-methyl-2-[[(3-methyl-2-thiophenyl)-oxomethyl]amino]pentanoic acid IUPAC Name: (2S,3S)-3-methyl-2-[(3-methylthiophene-2-carbonyl)amino]pentanoic acid Traditional Name: (2S,3S)-3-methyl-2-[(3-methylthiophene-2-carbonyl)amino]valeric acid Formula: C12H17NO3S MolecularWeight: 255.33328

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C1=C(C=CS1)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)O)NC(=O)C1=C(C=CS1)C

InChI

InChI=1S/C12H17NO3S/c1-4-7(2)9(12(15)16)13-11(14)10-8(3)5-6-17-10/h5-7,9H,4H2,1-3H3,(H,13,14)(H,15,16)/t7-,9-/m0/s1