[2-(ethylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-(ethylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(ethylcarbamoylamino)-2-oxo-ethyl] (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(3-methylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(ethylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethylcarbamoylamino)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-(m-toluoylamino)butyric acid [2-(ethylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)COC(=O)C(CCSC)NC(=O)C1=CC(=CC=C1)C

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O5S/c1-4-19-18(25)21-15(22)11-26-17(24)14(8-9-27-3)20-16(23)13-7-5-6-12(2)10-13/h5-7,10,14H,4,8-9,11H2,1-3H3,(H,20,23)(H2,19,21,22,25)/t14-/m0/s1