[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] (2S)-2-[(2-chlorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] (2S)-2-[(2-chlorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(1,1-diethylprop-2-ynylamino)-2-oxo-ethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-chlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-chlorobenzoyl)amino]-3-methyl-butyric acid [2-(1,1-diethylprop-2-ynylamino)-2-keto-ethyl] ester Formula: C21H27ClN2O4 MolecularWeight: 406.90308

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)COC(=O)C(C(C)C)NC(=O)C1=CC=CC=C1Cl

Isomeric SMILES

CCC(CC)(C#C)NC(=O)COC(=O)[C@H](C(C)C)NC(=O)C1=CC=CC=C1Cl

InChI

InChI=1S/C21H27ClN2O4/c1-6-21(7-2,8-3)24-17(25)13-28-20(27)18(14(4)5)23-19(26)15-11-9-10-12-16(15)22/h1,9-12,14,18H,7-8,13H2,2-5H3,(H,23,26)(H,24,25)/t18-/m0/s1