6-[(2S,3R,4R,6E)-3-(Acetyloxy)-4-methyl-2-(methylamino)-6,8-nonadienoic acid]cyclosporin A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C65H113N11O13
Molecular Weight	1256.6586
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 6-[(2S,3R,4R,6E)-3-(Acetyloxy)-4-methyl-2-(methylamino)-6,8-nonadienoic acid]cyclosporin A

Structure Search

SMILES

CC[C@@H]1NC(=O)[C@H]([C@H](OC(C)=O)[C@H](C)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=VEZMHQBCOHNPBQ-TWGSULDHSA-N

InChI=1S/C65H113N11O13/c1-26-28-29-30-42(15)55(89-45(18)77)54-59(82)68-46(27-2)61(84)70(19)35-51(78)71(20)47(31-36(3)4)58(81)69-52(40(11)12)64(87)72(21)48(32-37(5)6)57(80)66-43(16)56(79)67-44(17)60(83)73(22)49(33-38(7)8)62(85)74(23)50(34-39(9)10)63(86)75(24)53(41(13)14)65(88)76(54)25/h26,28-29,36-44,46-50,52-55H,1,27,30-35H2,2-25H3,(H,66,80)(H,67,79)(H,68,82)(H,69,81)/b29-28+/t42-,43+,44-,46+,47+,48+,49+,50+,52+,53+,54+,55-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C65H113N11O13
Molecular Weight	1256.6586
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 12
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:16:33 GMT 2025` Edited by `admin` on `Wed Apr 02 20:16:33 GMT 2025`
Record UNII	RP6WE4Z68D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6-[(2S,3R,4R,6E)-3-(Acetyloxy)-4-methyl-2-(methylamino)-6,8-nonadienoic acid]cyclosporin A

Systematic Name

English

Cyclosporin A, 6-[(2S,3R,4R,6E)-3-(acetyloxy)-4-methyl-2-(methylamino)-6,8-nonadienoic acid]-

Preferred Name

English

Code System Code Type Description

FDA UNII

RP6WE4Z68D

Created by admin on Wed Apr 02 20:16:33 GMT 2025 , Edited by admin on Wed Apr 02 20:16:33 GMT 2025

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PUBCHEM

57333216

Created by admin on Wed Apr 02 20:16:33 GMT 2025 , Edited by admin on Wed Apr 02 20:16:33 GMT 2025

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CAS

515814-02-5

Created by admin on Wed Apr 02 20:16:33 GMT 2025 , Edited by admin on Wed Apr 02 20:16:33 GMT 2025

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