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Details

Stereochemistry MIXED
Molecular Formula C24H31N5O8S2
Molecular Weight 581.662
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(PENICILLAN-6-YL) OPEN RING AMOXICILLINAMIDE

SMILES

[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(NC(=O)[C@H](N)C3=CC=C(O)C=C3)C4N[C@@H](C(O)=O)C(C)(C)S4)C(O)=O

InChI

InChIKey=IWGZTNRRMDWOOM-VRARSFJOSA-N
InChI=1S/C24H31N5O8S2/c1-23(2)14(21(34)35)28-18(38-23)12(26-16(31)11(25)9-5-7-10(30)8-6-9)17(32)27-13-19(33)29-15(22(36)37)24(3,4)39-20(13)29/h5-8,11-15,18,20,28,30H,25H2,1-4H3,(H,26,31)(H,27,32)(H,34,35)(H,36,37)/t11-,12?,13-,14+,15+,18?,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H31N5O8S2
Molecular Weight 581.662
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 5 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:49:30 UTC 2023
Edited
by admin
on Sat Dec 16 05:49:30 UTC 2023
Record UNII
995A65Z8KZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(PENICILLAN-6-YL) OPEN RING AMOXICILLINAMIDE
Common Name English
(2S,5R,6R)-6-(2-((R)-2-AMINO-2-(4-HYDROXYPHENYL)ACETAMIDO)-2-((4S)-4-CARBOXY-5,5-DIMETHYLTHIAZOLIDIN-2-YL)ACETAMIDO)-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID
Common Name English
AMOXICILLIN RELATED COMPOUND M
Common Name English
Code System Code Type Description
FDA UNII
995A65Z8KZ
Created by admin on Sat Dec 16 05:49:30 UTC 2023 , Edited by admin on Sat Dec 16 05:49:30 UTC 2023
PRIMARY
PUBCHEM
135390702
Created by admin on Sat Dec 16 05:49:30 UTC 2023 , Edited by admin on Sat Dec 16 05:49:30 UTC 2023
PRIMARY
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