(2S)-2-(3-azanylpropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid; sulfuric acid

Systemtic Name: (2S)-2-(3-azanylpropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid; sulfuric acid Openeye Name: (2S)-2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid; sulfuric acid CAS Name: (2S)-2-[(3-amino-1-oxopropyl)amino]-3-(1H-imidazol-5-yl)propanoic acid; sulfuric acid IUPAC Name: (2S)-2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid; sulfuric acid Traditional Name: (2S)-2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propionic acid; sulfuric acid Formula: C9H16N4O7S MolecularWeight: 324.31094

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)CC(C(=O)O)NC(=O)CCN.OS(=O)(=O)O

Isomeric SMILES

C1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)CCN.OS(=O)(=O)O

InChI

InChI=1S/C9H14N4O3.H2O4S/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6;1-5(2,3)4/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16);(H2,1,2,3,4)/t7-;/m0./s1