(2S)-2-[[2-(1-benzofuran-6-carbonyl)-7-bromo-5-chloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H24BrClN2O7S
Molecular Weight	659.932
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2S)-2-[[2-(1-benzofuran-6-carbonyl)-7-bromo-5-chloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid

Structure Search

SMILES

CS(=O)(=O)C1=CC(C[C@H](NC(=O)C2=C(Cl)C3=C(CN(CC3)C(=O)C4=CC=C5C=COC5=C4)C=C2Br)C(O)=O)=CC=C1

InChI

InChIKey=BKQJQUBKNREQEJ-QHCPKHFHSA-N

InChI=1S/C29H24BrClN2O7S/c1-41(38,39)20-4-2-3-16(11-20)12-23(29(36)37)32-27(34)25-22(30)13-19-15-33(9-7-21(19)26(25)31)28(35)18-6-5-17-8-10-40-24(17)14-18/h2-6,8,10-11,13-14,23H,7,9,12,15H2,1H3,(H,32,34)(H,36,37)/t23-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(S)-2-{2-[(1-Benzofuran-6-yl)carbonyl]-7-bromo-5-chloro-1,2,3,4-tetrahydro-6-isoquinolylcarbonylamino}-3-(m-mesylphenyl)propionic acid

Preferred Name

English

(2S)-2-[[2-(1-benzofuran-6-carbonyl)-7-bromo-5-chloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid

Systematic Name

English

Code System Code Type Description

PUBCHEM

169437183

Created by admin on Wed Apr 02 20:21:23 GMT 2025 , Edited by admin on Wed Apr 02 20:21:23 GMT 2025

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FDA UNII

SYV2ER66BF

Created by admin on Wed Apr 02 20:21:23 GMT 2025 , Edited by admin on Wed Apr 02 20:21:23 GMT 2025

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SUBSTANCE RECORD


					SYV2ER66BF

(2S)-2-[[2-(1-benzofuran-6-carbonyl)-7-bromo-5-chloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid