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

Systemtic Name: O1-ethyl O6-(phenylmethyl) (5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-2-sulfanylidene-hexanedioate Openeye Name: O6-benzyl O1-ethyl (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-ethyl ester O6-(phenylmethyl) ester IUPAC Name: 6-O-benzyl 1-O-ethyl (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-ethyl ester Formula: C20H25NO7S MolecularWeight: 423.48

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO7S/c1-5-26-18(24)16(29)15(22)11-14(21-19(25)28-20(2,3)4)17(23)27-12-13-9-7-6-8-10-13/h6-10,14H,5,11-12H2,1-4H3,(H,21,25)/t14-/m0/s1