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

Details

Stereochemistry	EPIMERIC
Molecular Formula	C21H34N2O6S
Molecular Weight	442.569
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 3
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

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

Structure Search

SMILES

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

InChI

InChIKey=BUNBOTXVYUHQBA-PYTNXZOXSA-N

InChI=1S/C21H34N2O6S/c1-13(10-14(2)24)22-17(20(28)29)12-30-9-7-5-6-8-16(19(26)27)23-18(25)15-11-21(15,3)4/h8,13,15,17,22H,5-7,9-12H2,1-4H3,(H,23,25)(H,26,27)(H,28,29)/b16-8-/t13?,15-,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H34N2O6S
Molecular Weight	442.569
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	2 / 3
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 10:14:43 GMT 2025` Edited by `admin` on `Wed Apr 02 10:14:43 GMT 2025`
Record UNII	RM7X8K4ASF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Systematic Name

English

CILASTATIN SODIUM IMPURITY B [EP IMPURITY]

Preferred Name

English

Code System Code Type Description

FDA UNII

RM7X8K4ASF

Created by admin on Wed Apr 02 10:14:43 GMT 2025 , Edited by admin on Wed Apr 02 10:14:43 GMT 2025

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CILASTATIN SODIUM

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: