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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H27NO7S3
Molecular Weight 477.615
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Ethylbutanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(1S,3S)-1-oxothiolan-3-yl]sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

SMILES

CCC(CC)C(=O)OCOC(=O)C1=C(S[C@H]2CC[S@+]([O-])C2)S[C@@H]3[C@@H]([C@@H](C)O)C(=O)N13

InChI

InChIKey=NBPVNGWRLGHULH-POPGPGKWSA-N
InChI=1S/C19H27NO7S3/c1-4-11(5-2)17(23)26-9-27-18(24)14-19(28-12-6-7-30(25)8-12)29-16-13(10(3)21)15(22)20(14)16/h10-13,16,21H,4-9H2,1-3H3/t10-,12+,13+,16-,30+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
2-Ethylbutanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(1S,3S)-1-oxothiolan-3-yl]sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
Preferred Name English
Code System Code Type Description
PUBCHEM
70691409
Created by admin on Wed Apr 02 19:46:20 GMT 2025 , Edited by admin on Wed Apr 02 19:46:20 GMT 2025
PRIMARY
FDA UNII
G924AJM3T6
Created by admin on Wed Apr 02 19:46:20 GMT 2025 , Edited by admin on Wed Apr 02 19:46:20 GMT 2025
PRIMARY