[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butyric acid [2-keto-2-(propargylamino)ethyl] ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NCC#C)NC(=O)C1=CC=C(C=C1)C(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NCC#C)NC(=O)C1=CC=C(C=C1)C(C)(C)C

InChI

InChI=1S/C21H28N2O4/c1-7-12-22-17(24)13-27-20(26)18(14(2)3)23-19(25)15-8-10-16(11-9-15)21(4,5)6/h1,8-11,14,18H,12-13H2,2-6H3,(H,22,24)(H,23,25)/t18-/m0/s1