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Details

Stereochemistry ABSOLUTE
Molecular Formula C64H113N11O13
Molecular Weight 1244.6479
Optical Activity ( - )
Defined Stereocenters 12 / 12
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of O-Acetylcyclosporin A

SMILES

CC[C@@H]1NC(=O)[C@H]([C@H](OC(C)=O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C

InChI

InChIKey=KUSICUWKCBCAHV-ZSINMPTNSA-N
InChI=1S/C64H113N11O13/c1-26-28-29-41(15)54(88-44(18)76)53-58(81)67-45(27-2)60(83)69(19)34-50(77)70(20)46(30-35(3)4)57(80)68-51(39(11)12)63(86)71(21)47(31-36(5)6)56(79)65-42(16)55(78)66-43(17)59(82)72(22)48(32-37(7)8)61(84)73(23)49(33-38(9)10)62(85)74(24)52(40(13)14)64(87)75(53)25/h26,28,35-43,45-49,51-54H,27,29-34H2,1-25H3,(H,65,79)(H,66,78)(H,67,81)(H,68,80)/b28-26+/t41-,42+,43-,45+,46+,47+,48+,49+,51+,52+,53+,54-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Cyclosporin A, acetate (ester)
Preferred Name English
O-Acetylcyclosporin A
Common Name English
Cyclosporin A, 6-[(2S,3R,4R,6E)-3-(acetyloxy)-4-methyl-2-(methylamino)-6-octenoic acid]-
Systematic Name English
6-[(2S,3R,4R,6E)-3-(Acetyloxy)-4-methyl-2-(methylamino)-6-octenoic acid]cyclosporin A
Systematic Name English
Code System Code Type Description
CAS
83602-41-9
Created by admin on Wed Apr 02 19:16:45 GMT 2025 , Edited by admin on Wed Apr 02 19:16:45 GMT 2025
PRIMARY
PUBCHEM
15161762
Created by admin on Wed Apr 02 19:16:45 GMT 2025 , Edited by admin on Wed Apr 02 19:16:45 GMT 2025
PRIMARY
FDA UNII
JAQ84NG9CJ
Created by admin on Wed Apr 02 19:16:45 GMT 2025 , Edited by admin on Wed Apr 02 19:16:45 GMT 2025
PRIMARY