O1-methyl O6-(phenylmethyl) (5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-2-sulfanylidene-hexanedioate

Systemtic Name: O1-methyl O6-(phenylmethyl) (5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-2-sulfanylidene-hexanedioate Openeye Name: O6-benzyl O1-methyl (5S)-5-(tert-butoxycarbonylamino)-3-oxo-2-thioxo-hexanedioate CAS Name: (5S)-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxo-2-sulfanylidenehexanedioic acid O1-methyl ester O6-(phenylmethyl) ester IUPAC Name: 6-O-benzyl 1-O-methyl (5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-2-sulfanylidenehexanedioate Traditional Name: (5S)-5-(tert-butoxycarbonylamino)-3-keto-2-thioxo-adipic acid O6-benzyl ester O1-methyl ester Formula: C19H23NO7S MolecularWeight: 409.45342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO7S/c1-19(2,3)27-18(24)20-13(10-14(21)15(28)17(23)25-4)16(22)26-11-12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3,(H,20,24)/t13-/m0/s1