(2S)-2-[[(2S)-2-acetamido-4-methylsulfanyl-butanoyl]amino]pentanedioate

Systemtic Name: (2S)-2-[[(2S)-2-acetamido-4-methylsulfanyl-butanoyl]amino]pentanedioate Openeye Name: (2S)-2-[[(2S)-2-acetamido-4-methylsulfanyl-butanoyl]amino]pentanedioate CAS Name: (2S)-2-[[(2S)-2-acetamido-4-(methylthio)-1-oxobutyl]amino]pentanedioate IUPAC Name: (2S)-2-[[(2S)-2-acetamido-4-methylsulfanylbutanoyl]amino]pentanedioate Traditional Name: (2S)-2-[[(2S)-2-acetamido-4-(methylthio)butanoyl]amino]glutarate Formula: C12H18N2O6S-2 MolecularWeight: 318.34612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCSC)C(=O)NC(CCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H20N2O6S/c1-7(15)13-8(5-6-21-2)11(18)14-9(12(19)20)3-4-10(16)17/h8-9H,3-6H2,1-2H3,(H,13,15)(H,14,18)(H,16,17)(H,19,20)/p-2/t8-,9-/m0/s1