methyl (2R)-2-[3-[(4-tert-butylphenyl)carbonylamino]propanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[3-[(4-tert-butylphenyl)carbonylamino]propanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[3-[(4-tert-butylbenzoyl)amino]propanoylamino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[3-[[(4-tert-butylphenyl)-oxomethyl]amino]-1-oxopropyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[3-[(4-tert-butylbenzoyl)amino]propanoylamino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[3-[(4-tert-butylbenzoyl)amino]propanoylamino]-4-(methylthio)butyric acid methyl ester Formula: C20H30N2O4S MolecularWeight: 394.5282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)N[C@H](CCSC)C(=O)OC

InChI

InChI=1S/C20H30N2O4S/c1-20(2,3)15-8-6-14(7-9-15)18(24)21-12-10-17(23)22-16(11-13-27-5)19(25)26-4/h6-9,16H,10-13H2,1-5H3,(H,21,24)(H,22,23)/t16-/m1/s1