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

Systemtic Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-methyl-butanoate Openeye Name: [2-(1,1-diethylprop-2-ynylamino)-2-oxo-ethyl] (2S)-2-benzamido-3-methyl-butanoate CAS Name: (2S)-2-benzamido-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-benzamido-3-methylbutanoate Traditional Name: (2S)-2-benzamido-3-methyl-butyric acid [2-(1,1-diethylprop-2-ynylamino)-2-keto-ethyl] ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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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=C1

Isomeric SMILES

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

InChI

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