[1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (1-methyl-2-oxo-2-ureido-ethyl) 2-[(3-methylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-(m-toluoylamino)butyric acid (2-keto-1-methyl-2-ureido-ethyl) ester Formula: C17H23N3O5S MolecularWeight: 381.44662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)OC(C)C(=O)NC(=O)N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)OC(C)C(=O)NC(=O)N

InChI

InChI=1S/C17H23N3O5S/c1-10-5-4-6-12(9-10)15(22)19-13(7-8-26-3)16(23)25-11(2)14(21)20-17(18)24/h4-6,9,11,13H,7-8H2,1-3H3,(H,19,22)(H3,18,20,21,24)