(1-oxidanylidene-1-phenylazanyl-propan-2-yl) (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (1-oxidanylidene-1-phenylazanyl-propan-2-yl) (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (2-anilino-1-methyl-2-oxo-ethyl) (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-methylbutanoic acid (1-anilino-1-oxopropan-2-yl) ester IUPAC Name: (1-anilino-1-oxopropan-2-yl) (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butyric acid (2-anilino-2-keto-1-methyl-ethyl) ester Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C(=O)NC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)OC(C)C(=O)NC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C25H32N2O4/c1-16(2)21(27-23(29)18-12-14-19(15-13-18)25(4,5)6)24(30)31-17(3)22(28)26-20-10-8-7-9-11-20/h7-17,21H,1-6H3,(H,26,28)(H,27,29)/t17?,21-/m0/s1