Methyl (S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H26Cl2N2O7S
Molecular Weight	629.508
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Methyl (S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoate

Structure Search

SMILES

COC(=O)[C@H](CC1=CC(=CC=C1)S(C)(=O)=O)NC(=O)C2=C(Cl)C3=C(CN(CC3)C(=O)C4=CC5=C(C=CO5)C=C4)C=C2Cl

InChI

InChIKey=XZMRMQMDMACEHK-DEOSSOPVSA-N

InChI=1S/C30H26Cl2N2O7S/c1-40-30(37)24(13-17-4-3-5-21(12-17)42(2,38)39)33-28(35)26-23(31)14-20-16-34(10-8-22(20)27(26)32)29(36)19-7-6-18-9-11-41-25(18)15-19/h3-7,9,11-12,14-15,24H,8,10,13,16H2,1-2H3,(H,33,35)/t24-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H26Cl2N2O7S
Molecular Weight	629.508
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:23:44 GMT 2025` Edited by `admin` on `Wed Apr 02 20:23:44 GMT 2025`
Record UNII	Z8S56JT4LB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Methyl (S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoate

Systematic Name

English

L-Phenylalanine, N-[[2-(6-benzofuranylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl]-3-(methylsulfonyl)-, methyl ester

Preferred Name

English

Methyl (S)-2-{2-[(1-benzofuran-6-yl)carbonyl]-5,7-dichloro-1,2,3,4-tetrahydroisoquinol-6-ylcarbonylamino}-3-(3-mesylphenyl)propionate

Systematic Name

English

N-[[2-(6-Benzofuranylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl]-3-(methylsulfonyl)-L-phenylalanine methyl ester

Systematic Name

English

Methyl (S)-2-{2-[(1-benzofuran-6-yl)carbonyl]-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolylcarbonylamino}-3-(m-mesylphenyl)propionate

Systematic Name

English

Code System Code Type Description

PUBCHEM

135001697

Created by admin on Wed Apr 02 20:23:44 GMT 2025 , Edited by admin on Wed Apr 02 20:23:44 GMT 2025

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CAS

2295862-29-0

Created by admin on Wed Apr 02 20:23:44 GMT 2025 , Edited by admin on Wed Apr 02 20:23:44 GMT 2025

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FDA UNII

Z8S56JT4LB

Created by admin on Wed Apr 02 20:23:44 GMT 2025 , Edited by admin on Wed Apr 02 20:23:44 GMT 2025

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