(2S)-2-[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[(2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[(2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]-3-methyl-butyric acid Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=C(SC2=C1CCCC2)NC(=O)C

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)C1=C(SC2=C1CCCC2)NC(=O)C

InChI

InChI=1S/C16H22N2O4S/c1-8(2)13(16(21)22)18-14(20)12-10-6-4-5-7-11(10)23-15(12)17-9(3)19/h8,13H,4-7H2,1-3H3,(H,17,19)(H,18,20)(H,21,22)/t13-/m0/s1