[2-[(4-tert-butylphenyl)carbonylamino]-2-oxidanylidene-ethyl] (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(4-tert-butylphenyl)carbonylamino]-2-oxidanylidene-ethyl] (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-[(4-tert-butylbenzoyl)amino]-2-oxo-ethyl] (2R)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2R)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-[[(4-tert-butylphenyl)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] (2R)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-ureido-butyric acid [2-[(4-tert-butylbenzoyl)amino]-2-keto-ethyl] ester Formula: C19H27N3O5S MolecularWeight: 409.49978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O5S/c1-19(2,3)13-7-5-12(6-8-13)16(24)22-15(23)11-27-17(25)14(9-10-28-4)21-18(20)26/h5-8,14H,9-11H2,1-4H3,(H3,20,21,26)(H,22,23,24)/t14-/m1/s1