4-(Acetylamino)-5-(di-2-propen-1-ylamino)-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylic acid, (3R,4R,5S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H32N2O4
Molecular Weight	364.4791
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-(Acetylamino)-5-(di-2-propen-1-ylamino)-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylic acid, (3R,4R,5S)-

Structure Search

SMILES

CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(C)=O)N(CC=C)CC=C)C(O)=O

InChI

InChIKey=PMNVKXFZJUDLHX-IPMKNSEASA-N

InChI=1S/C20H32N2O4/c1-6-10-22(11-7-2)17-12-15(20(24)25)13-18(19(17)21-14(5)23)26-16(8-3)9-4/h6-7,13,16-19H,1-2,8-12H2,3-5H3,(H,21,23)(H,24,25)/t17-,18+,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H32N2O4
Molecular Weight	364.4791
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 `Wed Apr 02 17:54:59 GMT 2025` Edited by `admin` on `Wed Apr 02 17:54:59 GMT 2025`
Record UNII	BRU9JA8Z8D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(3R,4R,5S)-4-(Acetylamino)-5-(di-2-propen-1-ylamino)-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylic acid

Preferred Name

English

4-(Acetylamino)-5-(di-2-propen-1-ylamino)-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylic acid, (3R,4R,5S)-

Systematic Name

English

(3R,4R,5S)-4-acetamido-5-[bis(prop-2-enyl)amino]-3-pentan-3-yloxycyclohexene-1-carboxylic acid

Systematic Name

English

4-acetamido-5-[bis(prop-2-enyl)amino]-3-pentan-3-yloxycyclohexene-1-carboxylic acid, (3R,4R,5S)-

Systematic Name

English

1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-(di-2-propen-1-ylamino)-3-(1-ethylpropoxy)-, (3R,4R,5S)-

Systematic Name

English

Code System Code Type Description

CAS

3044729-56-5

Created by admin on Wed Apr 02 17:54:59 GMT 2025 , Edited by admin on Wed Apr 02 17:54:59 GMT 2025

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FDA UNII

BRU9JA8Z8D

Created by admin on Wed Apr 02 17:54:59 GMT 2025 , Edited by admin on Wed Apr 02 17:54:59 GMT 2025

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PUBCHEM

69344953

Created by admin on Wed Apr 02 17:54:59 GMT 2025 , Edited by admin on Wed Apr 02 17:54:59 GMT 2025

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