2-azanyl-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid; 2-azanylpentanedioic acid; hydrate

Systemtic Name: 2-azanyl-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid; 2-azanylpentanedioic acid; hydrate Openeye Name: 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid; 2-aminopentanedioic acid; hydrate CAS Name: 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid; 2-aminopentanedioic acid; hydrate IUPAC Name: 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid; 2-aminopentanedioic acid; hydrate Traditional Name: 2-aminoglutaric acid; 2-amino-3-(5-hydroxy-1H-indol-3-yl)propionic acid; hydrate Formula: C16H23N3O8 MolecularWeight: 385.36912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1O)C(=CN2)CC(C(=O)O)N.C(CC(=O)O)C(C(=O)O)N.O

Isomeric SMILES

C1=CC2=C(C=C1O)C(=CN2)CC(C(=O)O)N.C(CC(=O)O)C(C(=O)O)N.O

InChI

InChI=1S/C11H12N2O3.C5H9NO4.H2O/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10;6-3(5(9)10)1-2-4(7)8;/h1-2,4-5,9,13-14H,3,12H2,(H,15,16);3H,1-2,6H2,(H,7,8)(H,9,10);1H2