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

Systemtic Name: 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-1,4-thiazepan-4-yl]ethanoic acid Openeye Name: 2-[6-(tert-butoxycarbonylamino)-5-oxo-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxo-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[6-(tert-butoxycarbonylamino)-5-keto-1,4-thiazepan-4-yl]acetic acid Formula: C12H20N2O5S MolecularWeight: 304.3626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CSCCN(C1=O)CC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1CSCCN(C1=O)CC(=O)O

InChI

InChI=1S/C12H20N2O5S/c1-12(2,3)19-11(18)13-8-7-20-5-4-14(10(8)17)6-9(15)16/h8H,4-7H2,1-3H3,(H,13,18)(H,15,16)