Benzyl (R)-2-[[(5,7-dichloro-1,2,3,4-tetrahydroisoquinolin-6-yl)carbonyl]amino]-3-[3-(methylsulfonyl)phenyl]propanoate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H26Cl2N2O5S
Molecular Weight	561.477
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Benzyl (R)-2-[[(5,7-dichloro-1,2,3,4-tetrahydroisoquinolin-6-yl)carbonyl]amino]-3-[3-(methylsulfonyl)phenyl]propanoate

Structure Search

SMILES

CS(=O)(=O)C1=CC=CC(C[C@@H](NC(=O)C2=C(Cl)C=C3CNCCC3=C2Cl)C(=O)OCC4=CC=CC=C4)=C1

InChI

InChIKey=XIBUXLQPDPBDCO-HSZRJFAPSA-N

InChI=1S/C27H26Cl2N2O5S/c1-37(34,35)20-9-5-8-18(12-20)13-23(27(33)36-16-17-6-3-2-4-7-17)31-26(32)24-22(28)14-19-15-30-11-10-21(19)25(24)29/h2-9,12,14,23,30H,10-11,13,15-16H2,1H3,(H,31,32)/t23-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H26Cl2N2O5S
Molecular Weight	561.477
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 19:22:40 GMT 2023` Edited by `admin` on `Sat Dec 16 19:22:40 GMT 2023`
Record UNII	63RD6G25QW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Benzyl (R)-2-[[(5,7-dichloro-1,2,3,4-tetrahydroisoquinolin-6-yl)carbonyl]amino]-3-[3-(methylsulfonyl)phenyl]propanoate

Common Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

63RD6G25QW

Created by admin on Sat Dec 16 19:22:40 GMT 2023 , Edited by admin on Sat Dec 16 19:22:40 GMT 2023

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PUBCHEM

166177268

Created by admin on Sat Dec 16 19:22:40 GMT 2023 , Edited by admin on Sat Dec 16 19:22:40 GMT 2023

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CAS

2724318-80-1

Created by admin on Sat Dec 16 19:22:40 GMT 2023 , Edited by admin on Sat Dec 16 19:22:40 GMT 2023

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