dimethyl (2S)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-azepan-1-yl]butanedioate

Systemtic Name: dimethyl (2S)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-azepan-1-yl]butanedioate Openeye Name: dimethyl (2S)-2-[(3S)-3-(tert-butoxycarbonylamino)-2-oxo-azepan-1-yl]butanedioate CAS Name: (2S)-2-[(3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-oxo-1-azepanyl]butanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoazepan-1-yl]butanedioate Traditional Name: (2S)-2-[(3S)-3-(tert-butoxycarbonylamino)-2-keto-azepan-1-yl]succinic acid dimethyl ester Formula: C17H28N2O7 MolecularWeight: 372.41342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCCCN(C1=O)C(CC(=O)OC)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H]1CCCCN(C1=O)[C@@H](CC(=O)OC)C(=O)OC

InChI

InChI=1S/C17H28N2O7/c1-17(2,3)26-16(23)18-11-8-6-7-9-19(14(11)21)12(15(22)25-5)10-13(20)24-4/h11-12H,6-10H2,1-5H3,(H,18,23)/t11-,12-/m0/s1