[2-(cyclohexylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-(cyclohexylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(cyclohexylamino)-2-oxo-ethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-methoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(cyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-2-oxoethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-3-methyl-2-(p-anisoylamino)butyric acid [2-(cyclohexylamino)-2-keto-ethyl] ester Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1CCCCC1)NC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NC1CCCCC1)NC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H30N2O5/c1-14(2)19(23-20(25)15-9-11-17(27-3)12-10-15)21(26)28-13-18(24)22-16-7-5-4-6-8-16/h9-12,14,16,19H,4-8,13H2,1-3H3,(H,22,24)(H,23,25)/t19-/m0/s1