3-phenylpropyl (2S)-2-[(3,3-dimethyl-2-oxidanylidene-butanoyl)amino]-3-methyl-butanoate

Systemtic Name: 3-phenylpropyl (2S)-2-[(3,3-dimethyl-2-oxidanylidene-butanoyl)amino]-3-methyl-butanoate Openeye Name: 3-phenylpropyl (2S)-2-[(3,3-dimethyl-2-oxo-butanoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[(3,3-dimethyl-1,2-dioxobutyl)amino]-3-methylbutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl (2S)-2-[(3,3-dimethyl-2-oxobutanoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-keto-3,3-dimethyl-butanoyl)amino]-3-methyl-butyric acid 3-phenylpropyl ester Formula: C20H29NO4 MolecularWeight: 347.44856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCCCC1=CC=CC=C1)NC(=O)C(=O)C(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)OCCCC1=CC=CC=C1)NC(=O)C(=O)C(C)(C)C

InChI

InChI=1S/C20H29NO4/c1-14(2)16(21-18(23)17(22)20(3,4)5)19(24)25-13-9-12-15-10-7-6-8-11-15/h6-8,10-11,14,16H,9,12-13H2,1-5H3,(H,21,23)/t16-/m0/s1