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Details

Stereochemistry EPIMERIC
Molecular Formula C83H137N24O24P
Molecular Weight 1886.096
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Zeleciment rostudirsen cytosine-lysine linker

SMILES

[H][C@]12CCC3=C(CC[C@@]1([H])[C@H]2COC(=O)NCCOCCOCCOCCOCCC(=O)NCCCC[C@H](N)C(O)=O)N(CCOCCOCCOCCC(=O)N[C@@H](C(C)C)C(=O)N[C@H](CCCNC(N)=O)C(=O)NC4=CC=C(COC(=O)NCCCCCCOC5=NC(=NC(=N5)N6CCN(CC6)P(=O)(OC[C@]7([H])CNC[C@@]([H])(O7)N8C=CC(N)=NC8=O)N(C)C)N(C)CC(N)=O)C=C4)N=N3

InChI

InChIKey=HMHUEOFMDYSOPY-CRJVWQRCSA-N
InChI=1S/C83H137N24O24P/c1-57(2)73(96-71(110)25-38-121-42-46-124-48-44-123-40-35-107-67-22-20-62-61(19-21-65(67)100-101-107)63(62)56-129-83(118)92-29-39-122-43-47-126-50-49-125-45-41-120-37-24-70(109)89-26-10-8-13-64(84)76(113)114)75(112)94-66(14-12-28-90-77(87)115)74(111)93-59-17-15-58(16-18-59)54-128-82(117)91-27-9-6-7-11-36-127-80-98-78(103(5)53-69(86)108)97-79(99-80)104-31-33-105(34-32-104)132(119,102(3)4)130-55-60-51-88-52-72(131-60)106-30-23-68(85)95-81(106)116/h15-18,23,30,57,60-64,66,72-73,88H,6-14,19-22,24-29,31-56,84H2,1-5H3,(H2,86,108)(H,89,109)(H,91,117)(H,92,118)(H,93,111)(H,94,112)(H,96,110)(H,113,114)(H2,85,95,116)(H3,87,90,115)/t60-,61-,62+,63-,64-,66+,72+,73-,132?/m0/s1

HIDE SMILES / InChI

Molecular Formula C83H137N24O24P
Molecular Weight 1886.096
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:53:57 GMT 2023
Edited
by admin
on Sat Dec 16 18:53:57 GMT 2023
Record UNII
4V3E5W3MW2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Zeleciment rostudirsen cytosine-lysine linker
Common Name English
Code System Code Type Description
FDA UNII
4V3E5W3MW2
Created by admin on Sat Dec 16 18:53:57 GMT 2023 , Edited by admin on Sat Dec 16 18:53:57 GMT 2023
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