rel-(3S)-3-[[(1R)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetic acid

Details

Stereochemistry	RACEMIC
Molecular Formula	C24H28N2O5
Molecular Weight	424.4895
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of rel-(3S)-3-[[(1R)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetic acid

Structure Search

SMILES

CCOC(=O)[C@@H](CCC1=CC=CC=C1)N[C@H]2CCC3=CC=CC=C3N(CC(O)=O)C2=O

InChI

InChIKey=XPCFTKFZXHTYIP-VQTJNVASSA-N

InChI=1S/C24H28N2O5/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28)/t19-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H28N2O5
Molecular Weight	424.4895
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:41:44 GMT 2025` Edited by `admin` on `Mon Mar 31 23:41:44 GMT 2025`
Record UNII	SB8B5SWY6J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Benazepril Hydrochloride Impurity B [EP IMPURITY]

Preferred Name

English

rel-(3S)-3-[[(1R)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetic acid

Systematic Name

English

1H-1-Benzazepine-1-acetic acid, 3-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-, (R*,S*)-(±)-

Systematic Name

English

(3-(1-ethoxycarbonyl-3-phenyl-(1R)-propyl)amino-2,3,4,5-tetrahydro-2-oxo-1H-1-(3S)-benzazepine)-1-acetic acid and (3-(1-ethoxycarbonyl-3-phenyl-(1S)-propyl)amino-2,3,4,5-tetrahydro-2-oxo-1H-1-(3R)-benzazepine)-1-acetic acid

Systematic Name

English

[(3RS)-3-[[(1SR)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetic acid

Systematic Name

English

Benazepril Related Compound B [USP IMPURITY]

Common Name

English

1H-1-Benzazepine-1-acetic acid, 3-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-, (R*,S*)-

Systematic Name

English

1H-1-Benzazepine-1-acetic acid, 3-[[(1R)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-, (3S)-rel-

Systematic Name

English

Code System Code Type Description

FDA UNII

SB8B5SWY6J

Created by admin on Mon Mar 31 23:41:44 GMT 2025 , Edited by admin on Mon Mar 31 23:41:44 GMT 2025

PRIMARY

CAS

86499-30-1

Created by admin on Mon Mar 31 23:41:44 GMT 2025 , Edited by admin on Mon Mar 31 23:41:44 GMT 2025

PRIMARY

PUBCHEM

55514

Created by admin on Mon Mar 31 23:41:44 GMT 2025 , Edited by admin on Mon Mar 31 23:41:44 GMT 2025

PRIMARY