2-azanylpentanedioic acid; 3-(1H-indol-3-yl)-2-(oxidanylamino)propanoic acid; hydrate

Systemtic Name: 2-azanylpentanedioic acid; 3-(1H-indol-3-yl)-2-(oxidanylamino)propanoic acid; hydrate Openeye Name: 2-aminopentanedioic acid; 2-(hydroxyamino)-3-(1H-indol-3-yl)propanoic acid; hydrate CAS Name: 2-aminopentanedioic acid; 2-(hydroxyamino)-3-(1H-indol-3-yl)propanoic acid; hydrate IUPAC Name: 2-aminopentanedioic acid; 2-(hydroxyamino)-3-(1H-indol-3-yl)propanoic acid; hydrate Traditional Name: 2-aminoglutaric acid; 2-(hydroxyamino)-3-(1H-indol-3-yl)propionic acid; hydrate Formula: C16H23N3O8 MolecularWeight: 385.36912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NO.C(CC(=O)O)C(C(=O)O)N.O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NO.C(CC(=O)O)C(C(=O)O)N.O

InChI

InChI=1S/C11H12N2O3.C5H9NO4.H2O/c14-11(15)10(13-16)5-7-6-12-9-4-2-1-3-8(7)9;6-3(5(9)10)1-2-4(7)8;/h1-4,6,10,12-13,16H,5H2,(H,14,15);3H,1-2,6H2,(H,7,8)(H,9,10);1H2