3-phenoxypropyl (2S)-2-[(3,3-dimethyl-2-oxidanylidene-butanoyl)amino]-4-methyl-pentanoate

Systemtic Name: 3-phenoxypropyl (2S)-2-[(3,3-dimethyl-2-oxidanylidene-butanoyl)amino]-4-methyl-pentanoate Openeye Name: 3-phenoxypropyl (2S)-2-[(3,3-dimethyl-2-oxo-butanoyl)amino]-4-methyl-pentanoate CAS Name: (2S)-2-[(3,3-dimethyl-1,2-dioxobutyl)amino]-4-methylpentanoic acid 3-phenoxypropyl ester IUPAC Name: 3-phenoxypropyl (2S)-2-[(3,3-dimethyl-2-oxobutanoyl)amino]-4-methylpentanoate Traditional Name: (2S)-2-[(2-keto-3,3-dimethyl-butanoyl)amino]-4-methyl-valeric acid 3-phenoxypropyl ester Formula: C21H31NO5 MolecularWeight: 377.47454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCCCOC1=CC=CC=C1)NC(=O)C(=O)C(C)(C)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)OCCCOC1=CC=CC=C1)NC(=O)C(=O)C(C)(C)C

InChI

InChI=1S/C21H31NO5/c1-15(2)14-17(22-19(24)18(23)21(3,4)5)20(25)27-13-9-12-26-16-10-7-6-8-11-16/h6-8,10-11,15,17H,9,12-14H2,1-5H3,(H,22,24)/t17-/m0/s1