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Details

Stereochemistry ABSOLUTE
Molecular Formula C77H96ClF3N10O10S4
Molecular Weight 1542.355
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DT-2216

SMILES

C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCCCCC(=O)N2CCN(CC[C@H](CSC3=CC=CC=C3)NC4=C(C=C(C=C4)S(=O)(=O)NC(=O)C5=CC=C(C=C5)N6CCN(CC7=C(CCC(C)(C)C7)C8=CC=C(Cl)C=C8)CC6)S(=O)(=O)C(F)(F)F)CC2)C(C)(C)C)C9=CC=C(C=C9)C%10=C(C)N=CS%10

InChI

InChIKey=PXVFFBGSTYQHRO-REQIQPEASA-N
InChI=1S/C77H96ClF3N10O10S4/c1-51(53-18-20-55(21-19-53)70-52(2)82-50-103-70)83-73(96)66-44-61(92)48-91(66)74(97)71(75(3,4)5)85-68(93)16-12-9-13-17-69(94)90-42-36-87(37-43-90)35-33-59(49-102-62-14-10-8-11-15-62)84-65-31-30-63(45-67(65)104(98,99)77(79,80)81)105(100,101)86-72(95)56-24-28-60(29-25-56)89-40-38-88(39-41-89)47-57-46-76(6,7)34-32-64(57)54-22-26-58(78)27-23-54/h8,10-11,14-15,18-31,45,50-51,59,61,66,71,84,92H,9,12-13,16-17,32-44,46-49H2,1-7H3,(H,83,96)(H,85,93)(H,86,95)/t51-,59+,61+,66-,71+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
DT-2216
Code English
DT2216
Code English
(2S,4R)-1-((S)-2-(7-(4-((R)-3-((4-(N-(4-(4-((4'-chloro-4,4-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)benzoyl)sulfamoyl)-2-((trifluoromethyl)sulfonyl)phenyl)amino)-4-(phenylthio)butyl)piperazin-1-yl)-7-oxoheptanamido)-3,3-dime
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 865621
Created by admin on Sat Dec 16 10:16:19 GMT 2023 , Edited by admin on Sat Dec 16 10:16:19 GMT 2023
Code System Code Type Description
PUBCHEM
139331475
Created by admin on Sat Dec 16 10:16:19 GMT 2023 , Edited by admin on Sat Dec 16 10:16:19 GMT 2023
PRIMARY
CAS
2365172-42-3
Created by admin on Sat Dec 16 10:16:19 GMT 2023 , Edited by admin on Sat Dec 16 10:16:19 GMT 2023
PRIMARY
FDA UNII
Y8JQ9V7JAJ
Created by admin on Sat Dec 16 10:16:19 GMT 2023 , Edited by admin on Sat Dec 16 10:16:19 GMT 2023
PRIMARY