ATG-045

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H55N3O7
Molecular Weight	593.795
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COCCCOC1=CC(C[C@@H](C[C@H](NC(C)=O)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)=CC=C1OC

InChI

InChIKey=VCFHYFVMIMKBHH-FWEHEUNISA-N

InChI=1S/C32H55N3O7/c1-20(2)24(15-23-11-12-28(41-9)29(16-23)42-14-10-13-40-8)17-26(35-22(5)36)27(37)18-25(21(3)4)30(38)34-19-32(6,7)31(33)39/h11-12,16,20-21,24-27,37H,10,13-15,17-19H2,1-9H3,(H2,33,39)(H,34,38)(H,35,36)/t24-,25-,26-,27-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

ATG-045

Code

English

BENZENEOCTANAMIDE, .DELTA.-(ACETYLAMINO)-N-(3-AMINO-2,2-DIMETHYL-3-OXOPROPYL)-.GAMMA.-HYDROXY-4-METHOXY-3-(3-METHOXYPROPOXY)-.ALPHA.,.ZETA.-BIS(1-METHYLETHYL)-, (.ALPHA.S,.DELTA.S,.GAMMA.S,.ZETA.S)-

Systematic Name

English

ALISKIREN METABOLITE M12

Common Name

English

(.ALPHA.S,.DELTA.S,.GAMMA.S,.ZETA.S)-.DELTA.-(ACETYLAMINO)-N-(3-AMINO-2,2-DIMETHYL-3-OXOPROPYL)-.GAMMA.-HYDROXY-4-METHOXY-3-(3-METHOXYPROPOXY)-.ALPHA.,.ZETA.-BIS(1-METHYLETHYL)BENZENEOCTANAMIDE

Systematic Name

English

ATG045

Code

English

BENZENEOCTANAMIDE, .DELTA.-(ACETYLAMINO)-N-(3-AMINO-2,2-DIMETHYL-3-OXOPROPYL)-.GAMMA.-HYDROXY-4-METHOXY-3-(3-METHOXYPROPOXY)-.ALPHA.,.ZETA.-BIS(1-METHYLETHYL)-, (.ALPHA.S,.GAMMA.S,.DELTA.S,.ZETA.S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

QX2M79MA6T

Created by admin on Sat Dec 16 14:54:53 GMT 2023 , Edited by admin on Sat Dec 16 14:54:53 GMT 2023

PRIMARY

CAS

627863-29-0

Created by admin on Sat Dec 16 14:54:53 GMT 2023 , Edited by admin on Sat Dec 16 14:54:53 GMT 2023

PRIMARY

PUBCHEM

9873303

Created by admin on Sat Dec 16 14:54:53 GMT 2023 , Edited by admin on Sat Dec 16 14:54:53 GMT 2023

PRIMARY

PARENT (METABOLITE)


					502FWN4Q32

ALISKIREN

SUBSTANCE RECORD


					QX2M79MA6T

ATG-045