(5-methyl-1,2-oxazol-3-yl)methyl (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)methyl (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (5-methylisoxazol-3-yl)methyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-methylbutanoic acid (5-methyl-3-isoxazolyl)methyl ester IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butyric acid (5-methylisoxazol-3-yl)methyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)COC(=O)C(C(C)C)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=CC(=NO1)COC(=O)[C@H](C(C)C)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H28N2O4/c1-13(2)18(20(25)26-12-17-11-14(3)27-23-17)22-19(24)15-7-9-16(10-8-15)21(4,5)6/h7-11,13,18H,12H2,1-6H3,(H,22,24)/t18-/m0/s1