[(3S,6S)-6-azanyl-1-methyl-7-oxidanylidene-azepan-3-yl] ethanoate

Systemtic Name: [(3S,6S)-6-azanyl-1-methyl-7-oxidanylidene-azepan-3-yl] ethanoate Openeye Name: [(3S,6S)-6-amino-1-methyl-7-oxo-azepan-3-yl] acetate CAS Name: acetic acid [(3S,6S)-6-amino-1-methyl-7-oxo-3-azepanyl] ester IUPAC Name: [(3S,6S)-6-amino-1-methyl-7-oxoazepan-3-yl] acetate Traditional Name: acetic acid [(3S,6S)-6-amino-7-keto-1-methyl-azepan-3-yl] ester Formula: C9H16N2O3 MolecularWeight: 200.23494

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC(C(=O)N(C1)C)N

Isomeric SMILES

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

InChI

InChI=1S/C9H16N2O3/c1-6(12)14-7-3-4-8(10)9(13)11(2)5-7/h7-8H,3-5,10H2,1-2H3/t7-,8-/m0/s1