Penicillin K

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H26N2O4S
Molecular Weight	342.454
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCCC(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O

InChI

InChIKey=XVASOOUVMJAZNJ-MBNYWOFBSA-N

InChI=1S/C16H26N2O4S/c1-4-5-6-7-8-9-10(19)17-11-13(20)18-12(15(21)22)16(2,3)23-14(11)18/h11-12,14H,4-9H2,1-3H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C16H26N2O4S
Molecular Weight	342.454
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:56:34 GMT 2025` Edited by `admin` on `Mon Mar 31 22:56:34 GMT 2025`
Record UNII	6QTN45AXE6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Penicillin K

Common Name

English

Heptylpenicillin

Preferred Name

English

Octanoylpenicillin

Common Name

English

Penicillin, heptyl-

Common Name

English

(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[(1-oxooctyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systematic Name

English

Penicillin A

Common Name

English

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(1-oxooctyl)amino]-, [2S-(2?,5?,6?)]-

Systematic Name

English

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-octanamido-7-oxo-

Systematic Name

English

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(1-oxooctyl)amino]-, (2S,5R,6R)-

Systematic Name

English

Code System Code Type Description

CAS

525-97-3

Created by admin on Mon Mar 31 22:56:34 GMT 2025 , Edited by admin on Mon Mar 31 22:56:34 GMT 2025

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FDA UNII

6QTN45AXE6

Created by admin on Mon Mar 31 22:56:34 GMT 2025 , Edited by admin on Mon Mar 31 22:56:34 GMT 2025

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EPA CompTox

DTXSID80200506

Created by admin on Mon Mar 31 22:56:34 GMT 2025 , Edited by admin on Mon Mar 31 22:56:34 GMT 2025

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PUBCHEM

12314049

Created by admin on Mon Mar 31 22:56:34 GMT 2025 , Edited by admin on Mon Mar 31 22:56:34 GMT 2025

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