[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] (2R)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] (2R)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] (2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(3-methylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-(m-toluoylamino)butyric acid [2-(isobutylcarbamoylamino)-2-keto-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)OCC(=O)NC(=O)NCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O5S/c1-13(2)11-21-20(27)23-17(24)12-28-19(26)16(8-9-29-4)22-18(25)15-7-5-6-14(3)10-15/h5-7,10,13,16H,8-9,11-12H2,1-4H3,(H,22,25)(H2,21,23,24,27)/t16-/m1/s1