(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-4-phenylmethoxy-butanethioic S-acid

Systemtic Name: (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-4-phenylmethoxy-butanethioic S-acid Openeye Name: (3S)-4-benzyloxy-3-(tert-butoxycarbonylamino)-4-oxo-butanethioic S-acid CAS Name: (3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-4-phenylmethoxybutanethioic S-acid IUPAC Name: (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylmethoxybutanethioic S-acid Traditional Name: (3S)-4-benzoxy-3-(tert-butoxycarbonylamino)-4-keto-thiobutyric acid Formula: C16H21NO5S MolecularWeight: 339.40664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)S)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC(=O)S)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C16H21NO5S/c1-16(2,3)22-15(20)17-12(9-13(18)23)14(19)21-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,20)(H,18,23)/t12-/m0/s1