Amoxicillin open ring dimer

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H38N6O10S2
Molecular Weight	730.808
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Amoxicillin open ring dimer

Structure Search

SMILES

CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](N)C3=CC=C(O)C=C3)[C@@H]4N[C@@H](C(O)=O)C(C)(C)S4)C5=CC=C(O)C=C5)C(=O)N2[C@H]1C(O)=O

InChI

InChIKey=GERXQFMVSQUXHT-BOUYBQKTSA-N

InChI=1S/C32H38N6O10S2/c1-31(2)21(29(45)46)37-26(49-31)19(35-23(41)17(33)13-5-9-15(39)10-6-13)25(43)34-18(14-7-11-16(40)12-8-14)24(42)36-20-27(44)38-22(30(47)48)32(3,4)50-28(20)38/h5-12,17-22,26,28,37,39-40H,33H2,1-4H3,(H,34,43)(H,35,41)(H,36,42)(H,45,46)(H,47,48)/t17-,18-,19-,20-,21+,22+,26-,28-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C32H38N6O10S2
Molecular Weight	730.808
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:33:27 GMT 2025` Edited by `admin` on `Mon Mar 31 21:33:27 GMT 2025`
Record UNII	DY5TTZ57P2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(2S,5R,6R)-6-((2R)-2-(2-((R)-2-AMINO-2-(4-HYDROXYPHENYL)ACETAMIDO)-2-((4S)-4-CARBOXY-5,5-DIMETHYLTHIAZOLIDIN-2-YL)ACETAMIDO(-2-(4-HYDROXYPHENYL)ACETAMIDO)-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID

Preferred Name

English

Amoxicillin open ring dimer

Common Name

English

AMOXICILLIN DIMER

Common Name

English

AMOXICILLIN RELATED COMPOUND J [USP-RS]

Common Name

English

AMOXICILLIN RELATED COMPOUND J

Common Name

English

Code System Code Type Description

RS_ITEM_NUM

1031605