(2S)-4-(3-hydroxyphenyl)-2-[[(2R)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid

Systemtic Name: (2S)-4-(3-hydroxyphenyl)-2-[[(2R)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid Openeye Name: (2S)-2-[[(1R)-2-hydroxy-1-methyl-2-oxo-ethyl]amino]-4-(3-hydroxyphenyl)butanoic acid CAS Name: (2S)-2-[[(2R)-1-hydroxy-1-oxopropan-2-yl]amino]-4-(3-hydroxyphenyl)butanoic acid IUPAC Name: (2S)-2-[[(2R)-1-hydroxy-1-oxopropan-2-yl]amino]-4-(3-hydroxyphenyl)butanoic acid Traditional Name: (2S)-2-[[(1R)-2-hydroxy-2-keto-1-methyl-ethyl]amino]-4-(3-hydroxyphenyl)butyric acid Formula: C13H17NO5 MolecularWeight: 267.27778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(CCC1=CC(=CC=C1)O)C(=O)O

Isomeric SMILES

C[C@H](C(=O)O)N[C@@H](CCC1=CC(=CC=C1)O)C(=O)O

InChI

InChI=1S/C13H17NO5/c1-8(12(16)17)14-11(13(18)19)6-5-9-3-2-4-10(15)7-9/h2-4,7-8,11,14-15H,5-6H2,1H3,(H,16,17)(H,18,19)/t8-,11+/m1/s1