[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(4-tert-butylanilino)-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-(4-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylanilino)-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid [2-(4-tert-butylanilino)-2-keto-ethyl] ester Formula: C18H27N3O4S MolecularWeight: 381.48968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O4S/c1-18(2,3)12-5-7-13(8-6-12)20-15(22)11-25-16(23)14(9-10-26-4)21-17(19)24/h5-8,14H,9-11H2,1-4H3,(H,20,22)(H3,19,21,24)/t14-/m0/s1