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

Systemtic Name: O1-tert-butyl O6-(phenylmethyl) (5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-2-sulfanylidene-hexanedioate Openeye Name: O6-benzyl O1-tert-butyl (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-tert-butyl ester O6-(phenylmethyl) ester IUPAC Name: 6-O-benzyl 1-O-tert-butyl (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-tert-butyl ester Formula: C22H29NO7S MolecularWeight: 451.53316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO7S/c1-21(2,3)29-19(26)17(31)16(24)12-15(23-20(27)30-22(4,5)6)18(25)28-13-14-10-8-7-9-11-14/h7-11,15H,12-13H2,1-6H3,(H,23,27)/t15-/m0/s1