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

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-[(3-methylphenyl)carbonylamino]propanoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-methylphenyl)-oxomethyl]amino]propanoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate Traditional Name: (2S)-2-(m-toluoylamino)propionic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H27N3O5 MolecularWeight: 377.43478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C)C(=O)OCC(=O)NC(=O)NCCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O5/c1-12(2)8-9-20-19(26)22-16(23)11-27-18(25)14(4)21-17(24)15-7-5-6-13(3)10-15/h5-7,10,12,14H,8-9,11H2,1-4H3,(H,21,24)(H2,20,22,23,26)/t14-/m0/s1