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(2S,4S)-2-azanyl-4-[(4-hydroxyphenyl)methyl]pentanedioic acid

(2S,4S)-2-azanyl-4-[(4-hydroxyphenyl)methyl]pentanedioic acid

Systemtic Name:(2S,4S)-2-azanyl-4-[(4-hydroxyphenyl)methyl]pentanedioic acid
Openeye Name:(2S,4S)-2-amino-4-[(4-hydroxyphenyl)methyl]pentanedioic acid
CAS Name:(2S,4S)-2-amino-4-[(4-hydroxyphenyl)methyl]pentanedioic acid
IUPAC Name:(2S,4S)-2-amino-4-[(4-hydroxyphenyl)methyl]pentanedioic acid
Traditional Name:(2S,4S)-2-amino-4-(4-hydroxybenzyl)glutaric acid
Formula: C12H15NO5
MolecularWeight: 253.2512
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C12H15NO5/c13-10(12(17)18)6-8(11(15)16)5-7-1-3-9(14)4-2-7/h1-4,8,10,14H,5-6,13H2,(H,15,16)(H,17,18)/t8-,10-/m0/s1


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