[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (2S)-2-[(3-methylphenyl)carbonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (2S)-2-[(3-methylphenyl)carbonylamino]propanoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-methylphenyl)-oxomethyl]amino]propanoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate Traditional Name: (2S)-2-(m-toluoylamino)propionic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C18H26N2O4 MolecularWeight: 334.41004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O4/c1-5-15(6-2)20-16(21)11-24-18(23)13(4)19-17(22)14-9-7-8-12(3)10-14/h7-10,13,15H,5-6,11H2,1-4H3,(H,19,22)(H,20,21)/t13-/m0/s1