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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H20Cl2N2O5S
Molecular Weight	471.354
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-[(5,7-Dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl)carbonyl]-3-(methylsulfonyl)-L-phenylalanine

Structure Search

SMILES

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

InChI

InChIKey=YUSRSRSJRRHCQF-INIZCTEOSA-N

InChI=1S/C20H20Cl2N2O5S/c1-30(28,29)13-4-2-3-11(7-13)8-16(20(26)27)24-19(25)17-15(21)9-12-10-23-6-5-14(12)18(17)22/h2-4,7,9,16,23H,5-6,8,10H2,1H3,(H,24,25)(H,26,27)/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H20Cl2N2O5S
Molecular Weight	471.354
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 19:12:09 GMT 2023` Edited by `admin` on `Sat Dec 16 19:12:09 GMT 2023`
Record UNII	26W92GBX25
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

59640823

Created by admin on Sat Dec 16 19:12:09 GMT 2023 , Edited by admin on Sat Dec 16 19:12:09 GMT 2023

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CAS

851785-70-1

Created by admin on Sat Dec 16 19:12:09 GMT 2023 , Edited by admin on Sat Dec 16 19:12:09 GMT 2023

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FDA UNII

26W92GBX25

Created by admin on Sat Dec 16 19:12:09 GMT 2023 , Edited by admin on Sat Dec 16 19:12:09 GMT 2023

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