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Details

Stereochemistry EPIMERIC
Molecular Formula C62H105N12O31P
Molecular Weight 1545.5327
Optical Activity UNSPECIFIED
Defined Stereocenters 19 / 20
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Vortosiran 3'-guanosine modification

SMILES

CO[C@@H]1[C@H](OP(O)(=O)OCC(O)C(=O)N(CCCNC(=O)CCCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)CCCN(CCCNC(=O)CCCCO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)C(=O)CCCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H](CO)O[C@H]1N5C=NC6=C5N=C(N)NC6=O

InChI

InChIKey=ZKPHUNCLPPTXTF-LSZDGDLXSA-N
InChI=1S/C62H105N12O31P/c1-32(79)67-43-50(89)47(86)36(26-75)102-59(43)97-23-8-5-14-40(83)64-17-11-19-72(42(85)16-7-10-25-99-61-45(69-34(3)81)52(91)49(88)38(28-77)104-61)21-13-22-73(20-12-18-65-41(84)15-6-9-24-98-60-44(68-33(2)80)51(90)48(87)37(27-76)103-60)57(93)35(82)30-100-106(94,95)105-53-39(29-78)101-58(54(53)96-4)74-31-66-46-55(74)70-62(63)71-56(46)92/h31,35-39,43-45,47-54,58-61,75-78,82,86-91H,5-30H2,1-4H3,(H,64,83)(H,65,84)(H,67,79)(H,68,80)(H,69,81)(H,94,95)(H3,63,70,71,92)/t35?,36-,37-,38-,39-,43-,44-,45-,47+,48+,49+,50-,51-,52-,53-,54-,58-,59-,60-,61-/m1/s1

HIDE SMILES / InChI

Molecular Formula C62H105N12O31P
Molecular Weight 1545.5327
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 19 / 20
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:39:57 GMT 2025
Edited
by admin
on Wed Apr 02 20:39:57 GMT 2025
Record UNII
Z2NK85Z4VJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Vortosiran 3'-guanosine modification
Common Name English
(2RS)-3-(1,23-bis[(2-acetamido-2-deoxy-?-D-galactopyranosyl)oxy]-14-{5-[(2-acetamido-2-deoxy-?-D-galactopyranosyl)oxy]pentanoyl}-5,19-dioxo-6,10,14,18-tetraazatricosan-10-yl)-2-hydroxy-3-oxopropyl hydrogen 2'-O-methyl guanosine phosphate
Preferred Name English
Code System Code Type Description
FDA UNII
Z2NK85Z4VJ
Created by admin on Wed Apr 02 20:39:57 GMT 2025 , Edited by admin on Wed Apr 02 20:39:57 GMT 2025
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