(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoic acid; (2S)-2-azanyl-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoic acid; (2S)-2-azanyl-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid; (2S)-2-amino-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid; (2S)-2-amino-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid; (2S)-2-amino-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propionic acid; (2S)-2-amino-4-(methylthio)butyric acid Formula: C11H20N4O4S MolecularWeight: 304.3659

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)N.C1=C(NC=N1)CC(C(=O)O)N

Isomeric SMILES

CSCC[C@@H](C(=O)O)N.C1=C(NC=N1)C[C@@H](C(=O)O)N

InChI

InChI=1S/C6H9N3O2.C5H11NO2S/c7-5(6(10)11)1-4-2-8-3-9-4;1-9-3-2-4(6)5(7)8/h2-3,5H,1,7H2,(H,8,9)(H,10,11);4H,2-3,6H2,1H3,(H,7,8)/t5-;4-/m00/s1