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Details

Stereochemistry ABSOLUTE
Molecular Formula C75H121N14O26P
Molecular Weight 1665.8152
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Cytidine-basivarsen-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)C[C@H](CCCNC(N)=O)C(=O)NC4=CC=C(COC(=O)NCCCCCCOP(O)(=O)OC[C@@]56CO[C@@H]([C@H](CN7C=C(C)C(N)=NC7=O)O5)[C@@H]6O)C=C4)N=N3

InChI

InChIKey=LWUZJJDOBFFMFW-NGXRJPBPSA-N
InChI=1S/C75H121N14O26P/c1-50(2)65(61(90)43-53(11-10-25-80-71(78)97)69(94)83-54-15-13-52(14-16-54)46-110-73(99)81-24-7-4-5-9-28-113-116(101,102)114-49-75-48-112-66(67(75)93)62(115-75)45-88-44-51(3)68(77)85-72(88)98)84-64(92)22-30-104-34-38-107-40-36-106-32-27-89-60-20-18-56-55(17-19-59(60)86-87-89)57(56)47-111-74(100)82-26-31-105-35-39-109-42-41-108-37-33-103-29-21-63(91)79-23-8-6-12-58(76)70(95)96/h13-16,44,50,53,55-58,62,65-67,93H,4-12,17-43,45-49,76H2,1-3H3,(H,79,91)(H,81,99)(H,82,100)(H,83,94)(H,84,92)(H,95,96)(H,101,102)(H2,77,85,98)(H3,78,80,97)/t53-,55-,56+,57-,58-,62-,65-,66-,67-,75+/m0/s1

HIDE SMILES / InChI

Molecular Formula C75H121N14O26P
Molecular Weight 1665.8152
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:17:45 GMT 2023
Edited
by admin
on Sat Dec 16 20:17:45 GMT 2023
Record UNII
9FC56L2EZB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Cytidine-basivarsen-lysine linker
Common Name English
Code System Code Type Description
FDA UNII
9FC56L2EZB
Created by admin on Sat Dec 16 20:17:45 GMT 2023 , Edited by admin on Sat Dec 16 20:17:45 GMT 2023
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