(2S)-2-azanyl-2-[3,5-bis(oxidanyl)phenyl]ethanoic acid hydrate

Systemtic Name: (2S)-2-azanyl-2-[3,5-bis(oxidanyl)phenyl]ethanoic acid hydrate Openeye Name: (2S)-2-amino-2-(3,5-dihydroxyphenyl)acetic acid hydrate CAS Name: (2S)-2-amino-2-(3,5-dihydroxyphenyl)acetic acid hydrate IUPAC Name: (2S)-2-amino-2-(3,5-dihydroxyphenyl)acetic acid hydrate Traditional Name: (2S)-2-amino-2-(3,5-dihydroxyphenyl)acetic acid hydrate Formula: C8H11NO5 MolecularWeight: 201.17664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1O)O)C(C(=O)O)N.O

Isomeric SMILES

C1=C(C=C(C=C1O)O)[C@@H](C(=O)O)N.O

InChI

InChI=1S/C8H9NO4.H2O/c9-7(8(12)13)4-1-5(10)3-6(11)2-4;/h1-3,7,10-11H,9H2,(H,12,13);1H2/t7-;/m0./s1