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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H30Cl2N2O7S
Molecular Weight	705.604
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Benzyl-N-[[2-(6-Benzofuranylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl]-3-(methylsulfonyl)-L-phenylalanate

Structure Search

SMILES

CS(=O)(=O)C1=CC=CC(C[C@H](NC(=O)C2=C(Cl)C=C3CN(CCC3=C2Cl)C(=O)C4=CC=C5C=COC5=C4)C(=O)OCC6=CC=CC=C6)=C1

InChI

InChIKey=CWMBPRWSUXTRTQ-PMERELPUSA-N

InChI=1S/C36H30Cl2N2O7S/c1-48(44,45)27-9-5-8-23(16-27)17-30(36(43)47-21-22-6-3-2-4-7-22)39-34(41)32-29(37)18-26-20-40(14-12-28(26)33(32)38)35(42)25-11-10-24-13-15-46-31(24)19-25/h2-11,13,15-16,18-19,30H,12,14,17,20-21H2,1H3,(H,39,41)/t30-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C36H30Cl2N2O7S
Molecular Weight	705.604
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 `Sat Dec 16 19:17:06 GMT 2023` Edited by `admin` on `Sat Dec 16 19:17:06 GMT 2023`
Record UNII	U93VUX2DZ6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Systematic Name

English

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

Systematic Name

English

Benzyl (S)-2-[[[2-[(benzofuran-6-yl)carbonyl]-5,7-dichloro-1,2,3,4-tetrahydroisoquinolin-6-yl]carbonyl]amino]-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)-, phenylmethyl ester

Systematic Name

English

Code System Code Type Description

PUBCHEM

44514948

Created by admin on Sat Dec 16 19:17:06 GMT 2023 , Edited by admin on Sat Dec 16 19:17:06 GMT 2023

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FDA UNII

U93VUX2DZ6

Created by admin on Sat Dec 16 19:17:06 GMT 2023 , Edited by admin on Sat Dec 16 19:17:06 GMT 2023

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EPA CompTox

DTXSID801100986

Created by admin on Sat Dec 16 19:17:06 GMT 2023 , Edited by admin on Sat Dec 16 19:17:06 GMT 2023

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CAS

1194550-67-8

Created by admin on Sat Dec 16 19:17:06 GMT 2023 , Edited by admin on Sat Dec 16 19:17:06 GMT 2023

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