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

Systemtic Name: [1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(cyclopropylamino)-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-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopropylamino)-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-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H32N2O4 MolecularWeight: 388.50048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C(=O)NC1CC1)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)OC(C)C(=O)NC1CC1)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H32N2O4/c1-13(2)18(21(27)28-14(3)19(25)23-17-11-12-17)24-20(26)15-7-9-16(10-8-15)22(4,5)6/h7-10,13-14,17-18H,11-12H2,1-6H3,(H,23,25)(H,24,26)/t14?,18-/m0/s1