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Details

Stereochemistry EPIMERIC
Molecular Formula C16H26N2O5S
Molecular Weight 358.453
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 3
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of (E)-(2RS)-7-(((2R)-2-AMINO-2-CARBOXYETHYL)SULFANYL)-2-((((1S)-2,2-DIMETHYLCYCLOPROPYL)CARBONYL)AMINO)HEPT-3-ENOIC ACID

SMILES

CC1(C)C[C@@H]1C(=O)NC(\C=C\CCCSC[C@H](N)C(O)=O)C(O)=O

InChI

InChIKey=QLKSRSKSTFVMEN-MHDUUTJASA-N
InChI=1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h4,6,10-12H,3,5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b6-4+/t10-,11+,12?/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H26N2O5S
Molecular Weight 358.453
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 2 / 3
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 12:08:05 GMT 2025
Edited
by admin
on Wed Apr 02 12:08:05 GMT 2025
Record UNII
JQ7ZK3C7L6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(E)-(2RS)-7-(((2R)-2-AMINO-2-CARBOXYETHYL)SULFANYL)-2-((((1S)-2,2-DIMETHYLCYCLOPROPYL)CARBONYL)AMINO)HEPT-3-ENOIC ACID
Systematic Name English
CILASTATIN SODIUM IMPURITY G [EP IMPURITY]
Preferred Name English
Code System Code Type Description
FDA UNII
JQ7ZK3C7L6
Created by admin on Wed Apr 02 12:08:05 GMT 2025 , Edited by admin on Wed Apr 02 12:08:05 GMT 2025
PRIMARY
PUBCHEM
168435113
Created by admin on Wed Apr 02 12:08:05 GMT 2025 , Edited by admin on Wed Apr 02 12:08:05 GMT 2025
PRIMARY
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