(2S)-2-azanyl-4-methylsulfanyl-butanoic acid; (2S)-4-methylsulfanyl-2-(2-sulfanylpropanoylamino)butanoic acid

Systemtic Name: (2S)-2-azanyl-4-methylsulfanyl-butanoic acid; (2S)-4-methylsulfanyl-2-(2-sulfanylpropanoylamino)butanoic acid Openeye Name: (2S)-2-amino-4-methylsulfanyl-butanoic acid; (2S)-4-methylsulfanyl-2-(2-sulfanylpropanoylamino)butanoic acid CAS Name: (2S)-2-amino-4-(methylthio)butanoic acid; (2S)-2-[(2-mercapto-1-oxopropyl)amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-amino-4-methylsulfanylbutanoic acid; (2S)-4-methylsulfanyl-2-(2-sulfanylpropanoylamino)butanoic acid Traditional Name: (2S)-2-amino-4-(methylthio)butyric acid; (2S)-2-(2-mercaptopropanoylamino)-4-(methylthio)butyric acid Formula: C13H26N2O5S3 MolecularWeight: 386.55094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCSC)C(=O)O)S.CSCCC(C(=O)O)N

Isomeric SMILES

CC(C(=O)N[C@@H](CCSC)C(=O)O)S.CSCC[C@@H](C(=O)O)N

InChI

InChI=1S/C8H15NO3S2.C5H11NO2S/c1-5(13)7(10)9-6(8(11)12)3-4-14-2;1-9-3-2-4(6)5(7)8/h5-6,13H,3-4H2,1-2H3,(H,9,10)(H,11,12);4H,2-3,6H2,1H3,(H,7,8)/t5?,6-;4-/m00/s1