(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoic acid; (2S)-2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoate

Systemtic Name: (2S)-2-azanyl-3-(4-hydroxyphenyl)propanoic acid; (2S)-2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoate Openeye Name: (2S)-2-amino-5-hydroxy-5-oxo-pentanoate; (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid CAS Name: (2S)-2-amino-5-hydroxy-5-oxopentanoate; (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: (2S)-2-amino-5-hydroxy-5-oxopentanoate; (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid Traditional Name: (2S)-2-amino-5-hydroxy-5-keto-valerate; (2S)-2-amino-3-(4-hydroxyphenyl)propionic acid Formula: C14H19N2O7- MolecularWeight: 327.30986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)N)O.C(CC(=O)O)C(C(=O)[O-])N

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)O)N)O.C(CC(=O)O)[C@@H](C(=O)[O-])N

InChI

InChI=1S/C9H11NO3.C5H9NO4/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;6-3(5(9)10)1-2-4(7)8/h1-4,8,11H,5,10H2,(H,12,13);3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t8-;3-/m00/s1