[2-(azepan-1-yl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-naphthalen-1-ylethanoylamino)butanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-naphthalen-1-ylethanoylamino)butanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] (2S)-3-methyl-2-[[2-(1-naphthyl)acetyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[2-(1-naphthalenyl)-1-oxoethyl]amino]butanoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[[2-(1-naphthyl)acetyl]amino]butyric acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)N1CCCCCC1)NC(=O)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)N1CCCCCC1)NC(=O)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C25H32N2O4/c1-18(2)24(25(30)31-17-23(29)27-14-7-3-4-8-15-27)26-22(28)16-20-12-9-11-19-10-5-6-13-21(19)20/h5-6,9-13,18,24H,3-4,7-8,14-17H2,1-2H3,(H,26,28)/t24-/m0/s1