[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2S)-2-[(3-methylphenyl)carbonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2S)-2-[(3-methylphenyl)carbonylamino]propanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-methylphenyl)-oxomethyl]amino]propanoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate Traditional Name: (2S)-2-(m-toluoylamino)propionic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C)C(=O)OCC(=O)NCC#C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C16H18N2O4/c1-4-8-17-14(19)10-22-16(21)12(3)18-15(20)13-7-5-6-11(2)9-13/h1,5-7,9,12H,8,10H2,2-3H3,(H,17,19)(H,18,20)/t12-/m0/s1