Ethyl (3R,4R,5S)-5-[bis(prop-2-en-1-yl)amino]-4-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate hydrochloride

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H36N2O4.ClH
Molecular Weight	428.993
Optical Activity	( - )
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Ethyl (3R,4R,5S)-5-[bis(prop-2-en-1-yl)amino]-4-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate hydrochloride

Structure Search

SMILES

Cl.CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@H](C1)N(CC=C)CC=C

InChI

InChIKey=RQTXRZZNAMGPFZ-HWAJWLCKSA-N

InChI=1S/C22H36N2O4.ClH/c1-7-12-24(13-8-2)19-14-17(22(26)27-11-5)15-20(21(19)23-16(6)25)28-18(9-3)10-4;/h7-8,15,18-21H,1-2,9-14H2,3-6H3,(H,23,25);1H/t19-,20+,21+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C22H36N2O4
Molecular Weight	392.5322
Charge	0
Count

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

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 18:50:53 GMT 2025` Edited by `admin` on `Wed Apr 02 18:50:53 GMT 2025`
Record UNII	L6M4P32RUW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Preferred Name

English

Ethyl (3R,4R,5S)-5-[bis(prop-2-en-1-yl)amino]-4-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate hydrochloride

Systematic Name

English

1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-(di-2-propenylamino)-3-(1-ethylpropoxy)-, ethyl ester, monohydrochloride, (3R,4R,5S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

L6M4P32RUW

Created by admin on Wed Apr 02 18:50:53 GMT 2025 , Edited by admin on Wed Apr 02 18:50:53 GMT 2025

PRIMARY

PUBCHEM

145709555

Created by admin on Wed Apr 02 18:50:53 GMT 2025 , Edited by admin on Wed Apr 02 18:50:53 GMT 2025

PRIMARY

CAS

757965-02-9

Created by admin on Wed Apr 02 18:50:53 GMT 2025 , Edited by admin on Wed Apr 02 18:50:53 GMT 2025

PRIMARY

Related Record Type Details


					8SC93WP8S9

Ethyl (3R,4R,5S)-4-(acetylamino)-5-(di-2-propen-1-ylamino)-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate

PARENT -> SALT/SOLVATE

Amount: