(2S)-2-(2-acetamidoethanoylamino)-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-(2-acetamidoethanoylamino)-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(2-acetamidoacetyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[(2-acetamido-1-oxoethyl)amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(2-acetamidoacetyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(2-acetamidoacetyl)amino]-4-(methylthio)butyrate Formula: C9H15N2O4S- MolecularWeight: 247.2914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16N2O4S/c1-6(12)10-5-8(13)11-7(9(14)15)3-4-16-2/h7H,3-5H2,1-2H3,(H,10,12)(H,11,13)(H,14,15)/p-1/t7-/m0/s1