methyl (2S)-2-[(3S)-3-azanyl-2-oxidanylidene-azepan-1-yl]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[(3S)-3-azanyl-2-oxidanylidene-azepan-1-yl]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[(3S)-3-amino-2-oxo-azepan-1-yl]-3-methyl-butanoate CAS Name: (2S)-2-[(3S)-3-amino-2-oxo-1-azepanyl]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3S)-3-amino-2-oxoazepan-1-yl]-3-methylbutanoate Traditional Name: (2S)-2-[(3S)-3-amino-2-keto-azepan-1-yl]-3-methyl-butyric acid methyl ester Formula: C12H22N2O3 MolecularWeight: 242.31468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)N1CCCCC(C1=O)N

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)N1CCCC[C@@H](C1=O)N

InChI

InChI=1S/C12H22N2O3/c1-8(2)10(12(16)17-3)14-7-5-4-6-9(13)11(14)15/h8-10H,4-7,13H2,1-3H3/t9-,10-/m0/s1