methyl (4S,7R)-3,3-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-1,2,5-dithiazocane-4-carboxylate

Systemtic Name: methyl (4S,7R)-3,3-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-1,2,5-dithiazocane-4-carboxylate Openeye Name: methyl (4S,7R)-7-(tert-butoxycarbonylamino)-3,3-dimethyl-6-oxo-1,2,5-dithiazocane-4-carboxylate CAS Name: (4S,7R)-3,3-dimethyl-7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-oxo-1,2,5-dithiazocane-4-carboxylic acid methyl ester IUPAC Name: methyl (4S,7R)-3,3-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-1,2,5-dithiazocane-4-carboxylate Traditional Name: (4S,7R)-7-(tert-butoxycarbonylamino)-6-keto-3,3-dimethyl-1,2,5-dithiazocane-4-carboxylic acid methyl ester Formula: C14H24N2O5S2 MolecularWeight: 364.48076

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(NC(=O)C(CSS1)NC(=O)OC(C)(C)C)C(=O)OC)C

Isomeric SMILES

CC1([C@@H](NC(=O)[C@H](CSS1)NC(=O)OC(C)(C)C)C(=O)OC)C

InChI

InChI=1S/C14H24N2O5S2/c1-13(2,3)21-12(19)15-8-7-22-23-14(4,5)9(11(18)20-6)16-10(8)17/h8-9H,7H2,1-6H3,(H,15,19)(H,16,17)/t8-,9-/m0/s1