2-acetamido-3-(5-aminocarbonyl-2-azanylidene-pyridin-1-yl)propanoic acid hydrate

Systemtic Name: 2-acetamido-3-(5-aminocarbonyl-2-azanylidene-pyridin-1-yl)propanoic acid hydrate Openeye Name: 2-acetamido-3-(5-carbamoyl-2-imino-1-pyridyl)propanoic acid hydrate CAS Name: 2-acetamido-3-(5-carbamoyl-2-imino-1-pyridinyl)propanoic acid hydrate IUPAC Name: 2-acetamido-3-(5-carbamoyl-2-iminopyridin-1-yl)propanoic acid hydrate Traditional Name: 2-acetamido-3-(5-carbamoyl-2-imino-1-pyridyl)propionic acid hydrate Formula: C11H16N4O5 MolecularWeight: 284.26854

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CN1C=C(C=CC1=N)C(=O)N)C(=O)O.O

Isomeric SMILES

CC(=O)NC(CN1C=C(C=CC1=N)C(=O)N)C(=O)O.O

InChI

InChI=1S/C11H14N4O4.H2O/c1-6(16)14-8(11(18)19)5-15-4-7(10(13)17)2-3-9(15)12;/h2-4,8,12H,5H2,1H3,(H2,13,17)(H,14,16)(H,18,19);1H2