[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(furan-2-ylcarbonylamino)propanoate

Systemtic Name: [(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(furan-2-ylcarbonylamino)propanoate Openeye Name: [(1S)-1-methyl-2-(3-methylanilino)-2-oxo-ethyl] 3-(furan-2-carbonylamino)propanoate CAS Name: 3-[[2-furanyl(oxo)methyl]amino]propanoic acid [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate Traditional Name: 3-(2-furoylamino)propionic acid [(1S)-2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)CCNC(=O)C2=CC=CO2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)OC(=O)CCNC(=O)C2=CC=CO2

InChI

InChI=1S/C18H20N2O5/c1-12-5-3-6-14(11-12)20-17(22)13(2)25-16(21)8-9-19-18(23)15-7-4-10-24-15/h3-7,10-11,13H,8-9H2,1-2H3,(H,19,23)(H,20,22)/t13-/m0/s1