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

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] (2R)-2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] (2R)-2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] (2R)-2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[(4-tert-butylbenzoyl)amino]-4-(methylthio)butyric acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C21H30N2O4S MolecularWeight: 406.5389

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)OCC(=O)NC2CC2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N[C@H](CCSC)C(=O)OCC(=O)NC2CC2

InChI

InChI=1S/C21H30N2O4S/c1-21(2,3)15-7-5-14(6-8-15)19(25)23-17(11-12-28-4)20(26)27-13-18(24)22-16-9-10-16/h5-8,16-17H,9-13H2,1-4H3,(H,22,24)(H,23,25)/t17-/m1/s1