[2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: [2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] (2R)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2R)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] (2R)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2R)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC(C)(C#N)C(C)C)NC(=O)CC1=CC=CC=C1

Isomeric SMILES

CC(C)[C@H](C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)NC(=O)CC1=CC=CC=C1

InChI

InChI=1S/C21H29N3O4/c1-14(2)19(23-17(25)11-16-9-7-6-8-10-16)20(27)28-12-18(26)24-21(5,13-22)15(3)4/h6-10,14-15,19H,11-12H2,1-5H3,(H,23,25)(H,24,26)/t19-,21-/m1/s1