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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H33N3O5S2
Molecular Weight 615.762
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CEP-1347

SMILES

CCSCC1=CC=C2[N@@]3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)[N@@]5C6=CC=C(CSCC)C=C6C7=C8CNC(=O)C8=C(C2=C1)C3=C57

InChI

InChIKey=SCMLRESZJCKCTC-KMYQRJGFSA-N
InChI=1S/C33H33N3O5S2/c1-5-42-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-43-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)41-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24-,32+,33+/m1/s1

HIDE SMILES / InChI

Molecular Formula C33H35N3O5S2
Molecular Weight 617.778
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 3 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 16 17:19:53 UTC 2022
Edited
by admin
on Fri Dec 16 17:19:53 UTC 2022
Record UNII
200HA2LIMK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CEP-1347
Common Name English
9,12-EPOXY-1H-DIINDOLO(1,2,3-FG:3',2',1'-KL)PYRROLO(3,4-I)(1,6)BENZODIAZOCINE-10-CARBOXYLIC ACID, 5,16-BIS((ETHYLTHIO)METHYL)-2,3,9,10,11,12-HEXAHYDRO-10-HYDROXY-9-METHYL-1-OXO-, METHYL ESTER, (9S,10R,12R)-
Systematic Name English
KT7515
Code English
KT-1575
Code English
9,12-EPOXY-1H-DIINDOLO(1,2,3-FG:3',2',1'-KL)PYRROLO(3,4-I)(1,6)BENZODIAZOCINE-10-CARBOXYLIC ACID, 5,16-BIS((ETHYLTHIO)METHYL)-2,3,9,10,11,12-HEXAHYDRO-10-HYDROXY-9-METHYL-1-OXO-, METHYL ESTER, (9S-(9.ALPHA.,10.BETA.,12.ALPHA.))-
Systematic Name English
KT-7515
Code English
Code System Code Type Description
CAS
156177-65-0
Created by admin on Fri Dec 16 17:19:53 UTC 2022 , Edited by admin on Fri Dec 16 17:19:53 UTC 2022
PRIMARY
FDA UNII
200HA2LIMK
Created by admin on Fri Dec 16 17:19:53 UTC 2022 , Edited by admin on Fri Dec 16 17:19:53 UTC 2022
PRIMARY
PUBCHEM
9917013
Created by admin on Fri Dec 16 17:19:53 UTC 2022 , Edited by admin on Fri Dec 16 17:19:53 UTC 2022
PRIMARY
DRUG BANK
DB05403
Created by admin on Fri Dec 16 17:19:53 UTC 2022 , Edited by admin on Fri Dec 16 17:19:53 UTC 2022
PRIMARY
ChEMBL
CHEMBL290352
Created by admin on Fri Dec 16 17:19:53 UTC 2022 , Edited by admin on Fri Dec 16 17:19:53 UTC 2022
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Cited as CEP-1374