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

Systemtic Name: [(2R)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] (2S)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [(1R)-2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(3-methylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [(2R)-1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-(m-toluoylamino)butyric acid [(1R)-2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H29N3O5S MolecularWeight: 423.52636

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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)NC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O5S/c1-12(2)21-20(27)23-17(24)14(4)28-19(26)16(9-10-29-5)22-18(25)15-8-6-7-13(3)11-15/h6-8,11-12,14,16H,9-10H2,1-5H3,(H,22,25)(H2,21,23,24,27)/t14-,16+/m1/s1