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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H22N2O6
Molecular Weight 338.3557
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHR-79888

SMILES

CC(C)C[C@H]([C@H](O)C(=O)NO)C(=O)N[C@H](C(O)=O)C1=CC=CC=C1

InChI

InChIKey=FIVIXKOBUJPPEI-AGIUHOORSA-N
InChI=1S/C16H22N2O6/c1-9(2)8-11(13(19)15(21)18-24)14(20)17-12(16(22)23)10-6-4-3-5-7-10/h3-7,9,11-13,19,24H,8H2,1-2H3,(H,17,20)(H,18,21)(H,22,23)/t11-,12+,13+/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H22N2O6
Molecular Weight 338.3557
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:34:02 UTC 2023
Edited
by admin
on Sat Dec 16 19:34:02 UTC 2023
Record UNII
HF6P5EF2F6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHR-79888
Code English
CHR79888
Code English
Benzeneacetic acid, α-[[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]amino]-, (αS)-
Systematic Name English
(αS)-α-[[(2R)-2-[(1S)-1-Hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]amino]benzeneacetic acid
Systematic Name English
Code System Code Type Description
FDA UNII
HF6P5EF2F6
Created by admin on Sat Dec 16 19:34:02 UTC 2023 , Edited by admin on Sat Dec 16 19:34:02 UTC 2023
PRIMARY
PUBCHEM
44201352
Created by admin on Sat Dec 16 19:34:02 UTC 2023 , Edited by admin on Sat Dec 16 19:34:02 UTC 2023
PRIMARY
CAS
1069128-53-5
Created by admin on Sat Dec 16 19:34:02 UTC 2023 , Edited by admin on Sat Dec 16 19:34:02 UTC 2023
PRIMARY
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