(2S)-2-[(1-ethyl-7-methyl-4-oxidanylidene-1,8-naphthyridin-3-yl)carbonylamino]propanoic acid hydrate

Systemtic Name: (2S)-2-[(1-ethyl-7-methyl-4-oxidanylidene-1,8-naphthyridin-3-yl)carbonylamino]propanoic acid hydrate Openeye Name: (2S)-2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]propanoic acid hydrate CAS Name: (2S)-2-[[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl)-oxomethyl]amino]propanoic acid hydrate IUPAC Name: (2S)-2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]propanoic acid hydrate Traditional Name: (2S)-2-[(1-ethyl-4-keto-7-methyl-1,8-naphthyridine-3-carbonyl)amino]propionic acid hydrate Formula: C15H19N3O5 MolecularWeight: 321.32846

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)NC(C)C(=O)O.O

Isomeric SMILES

CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)N[C@@H](C)C(=O)O.O

InChI

InChI=1S/C15H17N3O4.H2O/c1-4-18-7-11(14(20)17-9(3)15(21)22)12(19)10-6-5-8(2)16-13(10)18;/h5-7,9H,4H2,1-3H3,(H,17,20)(H,21,22);1H2/t9-;/m0./s1