[2-(azepan-1-yl)-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate CAS Name: (2R)-2-[[anilino(oxo)methyl]amino]-3-methylbutanoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate Traditional Name: (2R)-3-methyl-2-(phenylcarbamoylamino)butyric acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C20H29N3O4 MolecularWeight: 375.46196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)N1CCCCCC1)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@H](C(=O)OCC(=O)N1CCCCCC1)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C20H29N3O4/c1-15(2)18(22-20(26)21-16-10-6-5-7-11-16)19(25)27-14-17(24)23-12-8-3-4-9-13-23/h5-7,10-11,15,18H,3-4,8-9,12-14H2,1-2H3,(H2,21,22,26)/t18-/m1/s1