U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C42H52N4O7S
Molecular Weight 756.95
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SSR-240612 FREE BASE

SMILES

COC1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N[C@H](CC(=O)N[C@H](CC3=CC=C(CN4[C@@H](C)CCC[C@H]4C)C=C3)C(=O)N(C)C(C)C)C5=CC=C6OCOC6=C5

InChI

InChIKey=QGWIQIAWOCJRPI-WSCVWKGISA-N
InChI=1S/C42H52N4O7S/c1-27(2)45(5)42(48)38(20-30-10-12-31(13-11-30)25-46-28(3)8-7-9-29(46)4)43-41(47)24-37(34-16-19-39-40(23-34)53-26-52-39)44-54(49,50)36-18-15-32-21-35(51-6)17-14-33(32)22-36/h10-19,21-23,27-29,37-38,44H,7-9,20,24-26H2,1-6H3,(H,43,47)/t28-,29+,37-,38-/m1/s1

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Patents

Patents

Name Type Language
SSR-240612 FREE BASE
Common Name English
D-PHENYLALANINAMIDE, (3R)-3-(1,3-BENZODIOXOL-5-YL)-N-((6-METHOXY-2-NAPHTHALENYL)SULFONYL)-.BETA.-ALANYL-4-(((2R,6S)-2,6-DIMETHYL-1-PIPERIDINYL)METHYL)-N-METHYL-N-(1-METHYLETHYL)-
Common Name English
1,3-BENZODIOXOLE-5-PROPANAMIDE, N-((1R)-1-((4-(((2R,6S)-2,6-DIMETHYL-1-PIPERIDINYL)METHYL)PHENYL)METHYL)-2-(METHYL(1-METHYLETHYL)AMINO)-2-OXOETHYL)-.BETA.-(((6-METHOXY-2-NAPHTHALENYL)SULFONYL)AMINO)-,(.BETA.R)-
Common Name English
SSR240612 FREE BASE
Common Name English
Code System Code Type Description
PUBCHEM
9853583
Created by admin on Fri Dec 15 16:23:32 GMT 2023 , Edited by admin on Fri Dec 15 16:23:32 GMT 2023
PRIMARY
CAS
465539-70-2
Created by admin on Fri Dec 15 16:23:32 GMT 2023 , Edited by admin on Fri Dec 15 16:23:32 GMT 2023
PRIMARY
EPA CompTox
DTXSID7047352
Created by admin on Fri Dec 15 16:23:32 GMT 2023 , Edited by admin on Fri Dec 15 16:23:32 GMT 2023
PRIMARY
FDA UNII
189R4J5E0F
Created by admin on Fri Dec 15 16:23:32 GMT 2023 , Edited by admin on Fri Dec 15 16:23:32 GMT 2023
PRIMARY