methyl 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-1,4-thiazepan-4-yl]propanoate

Systemtic Name: methyl 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-1,4-thiazepan-4-yl]propanoate Openeye Name: methyl 2-[6-(tert-butoxycarbonylamino)-5-oxo-1,4-thiazepan-4-yl]propanoate CAS Name: 2-[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxo-1,4-thiazepan-4-yl]propanoic acid methyl ester IUPAC Name: methyl 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-1,4-thiazepan-4-yl]propanoate Traditional Name: 2-[6-(tert-butoxycarbonylamino)-5-keto-1,4-thiazepan-4-yl]propionic acid methyl ester Formula: C14H24N2O5S MolecularWeight: 332.41576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)N1CCSCC(C1=O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C(=O)OC)N1CCSCC(C1=O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C14H24N2O5S/c1-9(12(18)20-5)16-6-7-22-8-10(11(16)17)15-13(19)21-14(2,3)4/h9-10H,6-8H2,1-5H3,(H,15,19)