methyl (2R)-2-[[5-[(4-cyanophenyl)amino]-3,3-dimethyl-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoate

Systemtic Name: methyl (2R)-2-[[5-[(4-cyanophenyl)amino]-3,3-dimethyl-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoate Openeye Name: methyl (2R)-2-[[5-(4-cyanoanilino)-3,3-dimethyl-5-oxo-pentanoyl]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[5-(4-cyanoanilino)-3,3-dimethyl-1,5-dioxopentyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[5-(4-cyanoanilino)-3,3-dimethyl-5-oxopentanoyl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[5-(4-cyanoanilino)-5-keto-3,3-dimethyl-pentanoyl]amino]-4-methyl-valeric acid methyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)CC(C)(C)CC(=O)NC1=CC=C(C=C1)C#N

Isomeric SMILES

CC(C)C[C@H](C(=O)OC)NC(=O)CC(C)(C)CC(=O)NC1=CC=C(C=C1)C#N

InChI

InChI=1S/C21H29N3O4/c1-14(2)10-17(20(27)28-5)24-19(26)12-21(3,4)11-18(25)23-16-8-6-15(13-22)7-9-16/h6-9,14,17H,10-12H2,1-5H3,(H,23,25)(H,24,26)/t17-/m1/s1