(Z)-7-(((2R)-2-CARBOXY-2-((1,1-DIMETHYL-3-OXOBUTYL)AMINO)ETHYL)SULFANYL)-2-((((1S)-2,2-DIMETHYLCYCLOPROPYL)CARBONYL)AMINO)HEPT-2-ENOIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H36N2O6S
Molecular Weight	456.596
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of (Z)-7-(((2R)-2-CARBOXY-2-((1,1-DIMETHYL-3-OXOBUTYL)AMINO)ETHYL)SULFANYL)-2-((((1S)-2,2-DIMETHYLCYCLOPROPYL)CARBONYL)AMINO)HEPT-2-ENOIC ACID

Structure Search

SMILES

CC(=O)CC(C)(C)N[C@@H](CSCCCC\C=C(/NC(=O)[C@H]1CC1(C)C)C(O)=O)C(O)=O

InChI

InChIKey=UPNCRHITCZQPMV-NIQLSGAASA-N

InChI=1S/C22H36N2O6S/c1-14(25)11-22(4,5)24-17(20(29)30)13-31-10-8-6-7-9-16(19(27)28)23-18(26)15-12-21(15,2)3/h9,15,17,24H,6-8,10-13H2,1-5H3,(H,23,26)(H,27,28)(H,29,30)/b16-9-/t15-,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H36N2O6S
Molecular Weight	456.596
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 10:41:54 GMT 2025` Edited by `admin` on `Wed Apr 02 10:41:54 GMT 2025`
Record UNII	KU3P9K6GZK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CILASTATIN SODIUM IMPURITY C [EP IMPURITY]

Preferred Name

English

(Z)-7-(((2R)-2-CARBOXY-2-((1,1-DIMETHYL-3-OXOBUTYL)AMINO)ETHYL)SULFANYL)-2-((((1S)-2,2-DIMETHYLCYCLOPROPYL)CARBONYL)AMINO)HEPT-2-ENOIC ACID

Systematic Name

English

Code System Code Type Description

PUBCHEM

170898346

Created by admin on Wed Apr 02 10:41:54 GMT 2025 , Edited by admin on Wed Apr 02 10:41:54 GMT 2025

PRIMARY

FDA UNII

KU3P9K6GZK

Created by admin on Wed Apr 02 10:41:54 GMT 2025 , Edited by admin on Wed Apr 02 10:41:54 GMT 2025

PRIMARY

Related Record Type Details


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CILASTATIN SODIUM

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: