(2S)-2-acetamido-4-methylsulfanyl-butanoic acid; (2S)-2,5-bis(azanyl)pentanoic acid

Systemtic Name: (2S)-2-acetamido-4-methylsulfanyl-butanoic acid; (2S)-2,5-bis(azanyl)pentanoic acid Openeye Name: (2S)-2-acetamido-4-methylsulfanyl-butanoic acid; (2S)-2,5-diaminopentanoic acid CAS Name: (2S)-2-acetamido-4-(methylthio)butanoic acid; (2S)-2,5-diaminopentanoic acid IUPAC Name: (2S)-2-acetamido-4-methylsulfanylbutanoic acid; (2S)-2,5-diaminopentanoic acid Traditional Name: (2S)-2-acetamido-4-(methylthio)butyric acid; (2S)-2,5-diaminovaleric acid Formula: C12H25N3O5S MolecularWeight: 323.409

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCSC)C(=O)O.C(CC(C(=O)O)N)CN

Isomeric SMILES

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

InChI

InChI=1S/C7H13NO3S.C5H12N2O2/c1-5(9)8-6(7(10)11)3-4-12-2;6-3-1-2-4(7)5(8)9/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11);4H,1-3,6-7H2,(H,8,9)/t6-;4-/m00/s1