(3S,6S)-2,2-dimethyl-5-oxidanylidene-6-(2-phenylethanoylamino)-1,4-thiazepane-3-carboxylic acid

Systemtic Name: (3S,6S)-2,2-dimethyl-5-oxidanylidene-6-(2-phenylethanoylamino)-1,4-thiazepane-3-carboxylic acid Openeye Name: (3S,6S)-2,2-dimethyl-5-oxo-6-[(2-phenylacetyl)amino]-1,4-thiazepane-3-carboxylic acid CAS Name: (3S,6S)-2,2-dimethyl-5-oxo-6-[(1-oxo-2-phenylethyl)amino]-1,4-thiazepane-3-carboxylic acid IUPAC Name: (3S,6S)-2,2-dimethyl-5-oxo-6-[(2-phenylacetyl)amino]-1,4-thiazepane-3-carboxylic acid Traditional Name: (3S,6S)-5-keto-2,2-dimethyl-6-[(2-phenylacetyl)amino]-1,4-thiazepane-3-carboxylic acid Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(NC(=O)C(CS1)NC(=O)CC2=CC=CC=C2)C(=O)O)C

Isomeric SMILES

CC1([C@@H](NC(=O)[C@@H](CS1)NC(=O)CC2=CC=CC=C2)C(=O)O)C

InChI

InChI=1S/C16H20N2O4S/c1-16(2)13(15(21)22)18-14(20)11(9-23-16)17-12(19)8-10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)/t11-,13+/m1/s1