(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoic acid; (2S)-2,5-bis(azanyl)-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-3-(4-hydroxyphenyl)propanoic acid; (2S)-2,5-bis(azanyl)-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid; (2S)-2,5-diamino-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid; (2S)-2,5-diamino-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid; (2S)-2,5-diamino-5-oxopentanoic acid Traditional Name: (2S)-2-amino-3-(4-hydroxyphenyl)propionic acid; (2S)-2,5-diamino-5-keto-valeric acid Formula: C19H31N5O9 MolecularWeight: 473.47754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)N)O.C(CC(=O)N)C(C(=O)O)N.C(CC(=O)N)C(C(=O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO3.2C5H10N2O3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;2*6-3(5(9)10)1-2-4(7)8/h1-4,8,11H,5,10H2,(H,12,13);2*3H,1-2,6H2,(H2,7,8)(H,9,10)/t8-;2*3-/m000/s1