(2S)-3-(4-hydroxyphenyl)-2-(3-oxidanylbutanoylamino)propanoic acid

Systemtic Name: (2S)-3-(4-hydroxyphenyl)-2-(3-oxidanylbutanoylamino)propanoic acid Openeye Name: (2S)-2-(3-hydroxybutanoylamino)-3-(4-hydroxyphenyl)propanoic acid CAS Name: (2S)-2-[(3-hydroxy-1-oxobutyl)amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: (2S)-2-(3-hydroxybutanoylamino)-3-(4-hydroxyphenyl)propanoic acid Traditional Name: (2S)-2-(3-hydroxybutanoylamino)-3-(4-hydroxyphenyl)propionic acid Formula: C13H17NO5 MolecularWeight: 267.27778

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)O

Isomeric SMILES

CC(CC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)O

InChI

InChI=1S/C13H17NO5/c1-8(15)6-12(17)14-11(13(18)19)7-9-2-4-10(16)5-3-9/h2-5,8,11,15-16H,6-7H2,1H3,(H,14,17)(H,18,19)/t8?,11-/m0/s1