(Z)-7-[(R)-2-Amino-2-carboxyethylsulfinyl]-2-[(S)-2,2-dimethylcyclobutyrylamino]-2-heptenoic acid

Details

Stereochemistry	EPIMERIC
Molecular Formula	C16H26N2O6S
Molecular Weight	374.452
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of (Z)-7-[(R)-2-Amino-2-carboxyethylsulfinyl]-2-[(S)-2,2-dimethylcyclobutyrylamino]-2-heptenoic acid

Structure Search

SMILES

CC1(C)C[C@@H]1C(=O)N\C(=C/CCCCS(=O)C[C@H](N)C(O)=O)C(O)=O

InChI

InChIKey=OJKHHRCFNCSSIA-BIWWWXBSSA-N

InChI=1S/C16H26N2O6S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-25(24)9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-/t10-,11+,25?/m1/s1

HIDE SMILES / InChI

Molecular Formula	C16H26N2O6S
Molecular Weight	374.452
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 11:27:45 GMT 2025` Edited by `admin` on `Wed Apr 02 11:27:45 GMT 2025`
Record UNII	3F6K426CKG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(Z)-7-[(RS)-[(2R)-2-Amino-2-carboxyethyl]sulfinyl]-2-[[[(1S)-2,2-dimethylcyclopropyl]carbonyl]amino]hept-2-enoic acid

Preferred Name

English

(Z)-7-[(R)-2-Amino-2-carboxyethylsulfinyl]-2-[(S)-2,2-dimethylcyclobutyrylamino]-2-heptenoic acid

Systematic Name

English

CILASTATIN SODIUM IMPURITY A [EP IMPURITY]

Common Name

English

Code System Code Type Description

FDA UNII

3F6K426CKG

Created by admin on Wed Apr 02 11:27:45 GMT 2025 , Edited by admin on Wed Apr 02 11:27:45 GMT 2025

PRIMARY

PUBCHEM

169436460

Created by admin on Wed Apr 02 11:27:45 GMT 2025 , Edited by admin on Wed Apr 02 11:27:45 GMT 2025

PRIMARY

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CILASTATIN SODIUM

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: