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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

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
  • Download
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
PRIMARY
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
PRIMARY
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
PRIMARY