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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H22Cl2N2O5S
Molecular Weight 485.381
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl-N-[(5,7-Dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl)carbonyl]-3-(methylsulfonyl)-L-phenylalanate

SMILES

COC(=O)[C@H](CC1=CC(=CC=C1)S(C)(=O)=O)NC(=O)C2=C(Cl)C=C3CNCCC3=C2Cl

InChI

InChIKey=JKHIRJFIYHYNCO-KRWDZBQOSA-N
InChI=1S/C21H22Cl2N2O5S/c1-30-21(27)17(9-12-4-3-5-14(8-12)31(2,28)29)25-20(26)18-16(22)10-13-11-24-7-6-15(13)19(18)23/h3-5,8,10,17,24H,6-7,9,11H2,1-2H3,(H,25,26)/t17-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Methyl-N-[(5,7-Dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl)carbonyl]-3-(methylsulfonyl)-L-phenylalanate
Common Name English
L-Phenylalanine, N-[(5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl)carbonyl]-3-(methylsulfonyl)-, methyl ester
Systematic Name English
Code System Code Type Description
CAS
2711953-69-2
Created by admin on Sat Dec 16 19:22:24 GMT 2023 , Edited by admin on Sat Dec 16 19:22:24 GMT 2023
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FDA UNII
N7EW742NJN
Created by admin on Sat Dec 16 19:22:24 GMT 2023 , Edited by admin on Sat Dec 16 19:22:24 GMT 2023
PRIMARY
PUBCHEM
139210883
Created by admin on Sat Dec 16 19:22:24 GMT 2023 , Edited by admin on Sat Dec 16 19:22:24 GMT 2023
PRIMARY