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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H24N4O6S2
Molecular Weight 432.515
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S,5R,6R)-6-[[(2R)-2-Amino-2-[(2R,4S)-4-carboxy-5,5-dimethyl-2-thiazolidinyl]acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

SMILES

CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](N)[C@@H]3N[C@@H](C(O)=O)C(C)(C)S3)C(=O)N2[C@H]1C(O)=O

InChI

InChIKey=DEMSVHZGZWJURR-AWIFNRJOSA-N
InChI=1S/C16H24N4O6S2/c1-15(2)7(13(23)24)19-10(27-15)5(17)9(21)18-6-11(22)20-8(14(25)26)16(3,4)28-12(6)20/h5-8,10,12,19H,17H2,1-4H3,(H,18,21)(H,23,24)(H,25,26)/t5-,6-,7+,8+,10-,12-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H24N4O6S2
Molecular Weight 432.515
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:51:09 GMT 2025
Edited
by admin
on Wed Apr 02 17:51:09 GMT 2025
Record UNII
JLV8XE6SAQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-amino-2-[(2R,4S)-4-carboxy-5,5-dimethyl-2-thiazolidinyl]acetyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-
Preferred Name English
(2S,5R,6R)-6-[[(2R)-2-Amino-2-[(2R,4S)-4-carboxy-5,5-dimethyl-2-thiazolidinyl]acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Systematic Name English
Code System Code Type Description
FDA UNII
JLV8XE6SAQ
Created by admin on Wed Apr 02 17:51:09 GMT 2025 , Edited by admin on Wed Apr 02 17:51:09 GMT 2025
PRIMARY
CAS
1978372-79-0
Created by admin on Wed Apr 02 17:51:09 GMT 2025 , Edited by admin on Wed Apr 02 17:51:09 GMT 2025
PRIMARY