[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-[(3-methylphenyl)carbonylamino]propanoate

Systemtic Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-[(3-methylphenyl)carbonylamino]propanoate Openeye Name: [2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-methylphenyl)-oxomethyl]amino]propanoic acid [2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate Traditional Name: (2S)-2-(m-toluoylamino)propionic acid [2-(2-furfurylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H21N3O6 MolecularWeight: 387.38654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C)C(=O)OCC(=O)NC(=O)NCC2=CC=CO2

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C)C(=O)OCC(=O)NC(=O)NCC2=CC=CO2

InChI

InChI=1S/C19H21N3O6/c1-12-5-3-6-14(9-12)17(24)21-13(2)18(25)28-11-16(23)22-19(26)20-10-15-7-4-8-27-15/h3-9,13H,10-11H2,1-2H3,(H,21,24)(H2,20,22,23,26)/t13-/m0/s1