methyl 2-[(3S,7R)-3-azanyl-7-(2-hydroxyethyl)-2-oxidanylidene-azepan-1-yl]ethanoate

Systemtic Name: methyl 2-[(3S,7R)-3-azanyl-7-(2-hydroxyethyl)-2-oxidanylidene-azepan-1-yl]ethanoate Openeye Name: methyl 2-[(3S,7R)-3-amino-7-(2-hydroxyethyl)-2-oxo-azepan-1-yl]acetate CAS Name: 2-[(3S,7R)-3-amino-7-(2-hydroxyethyl)-2-oxo-1-azepanyl]acetic acid methyl ester IUPAC Name: methyl 2-[(3S,7R)-3-amino-7-(2-hydroxyethyl)-2-oxoazepan-1-yl]acetate Traditional Name: 2-[(3S,7R)-3-amino-7-(2-hydroxyethyl)-2-keto-azepan-1-yl]acetic acid methyl ester Formula: C11H20N2O4 MolecularWeight: 244.2875

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(CCCC(C1=O)N)CCO

Isomeric SMILES

COC(=O)CN1[C@H](CCC[C@@H](C1=O)N)CCO

InChI

InChI=1S/C11H20N2O4/c1-17-10(15)7-13-8(5-6-14)3-2-4-9(12)11(13)16/h8-9,14H,2-7,12H2,1H3/t8-,9+/m1/s1