Aliskiren Carboxylic Acid

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H52N2O7
Molecular Weight	552.7431
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COCCCOC1=C(OC)C=CC(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(O)=O)C(C)C)=C1

InChI

InChIKey=LRZFGPAQWQGXCX-QORCZRPOSA-N

InChI=1S/C30H52N2O7/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(33)17-23(20(3)4)28(34)32-18-30(5,6)29(35)36/h10-11,15,19-20,22-25,33H,9,12-14,16-18,31H2,1-8H3,(H,32,34)(H,35,36)/t22-,23-,24-,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H52N2O7
Molecular Weight	552.7431
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:47:11 GMT 2023` Edited by `admin` on `Sat Dec 16 19:47:11 GMT 2023`
Record UNII	DDT5N8PP96
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Aliskiren Carboxylic Acid

Common Name

English

3-[[(2S,4S,5S,7S)-5-Amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-(1-methylethyl)-1-oxononyl]amino]-2,2-dimethylpropanoic acid

Systematic Name

English

Propanoic acid, 3-[[5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-(1-methylethyl)-1-oxononyl]amino]-2,2-dimethyl-, [2S-(2R*,4R*,5R*,7R*)]

Systematic Name

English

Propanoic acid, 3-[[(2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-(1-methylethyl)-1-oxononyl]amino]-2,2-dimethyl

Systematic Name

English

Code System Code Type Description

FDA UNII

DDT5N8PP96

Created by admin on Sat Dec 16 19:47:11 GMT 2023 , Edited by admin on Sat Dec 16 19:47:11 GMT 2023

PRIMARY

PUBCHEM

23625650

Created by admin on Sat Dec 16 19:47:11 GMT 2023 , Edited by admin on Sat Dec 16 19:47:11 GMT 2023

PRIMARY

CAS

173400-13-0

Created by admin on Sat Dec 16 19:47:11 GMT 2023 , Edited by admin on Sat Dec 16 19:47:11 GMT 2023

PRIMARY