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

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

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-MCNHKJHISA-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 19:47:39 GMT 2025` Edited by `admin` on `Wed Apr 02 19:47:39 GMT 2025`
Record UNII	4RGK66HQ5J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Common Name

English

(1R,2R,4Z)-1-[(2S,5S,11S,14S,17S,20S,23R,26S,29S,32S)-5-Ethyl-1,7,10,16,25,28,31-heptamethyl-20,23-dimethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-bis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotr

Preferred Name

English

(1R,2R,4Z)-1-[(2S,5S,11S,14S,17S,20S,23R,26S,29S,32S)-5-Ethyl-11,17,26,29-tetraisobutyl-14,32-diisopropyl-1,7,10,16,25,28,31-heptamethyl-20,23-dimethyl-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecaaza-2-cyclotritriacontyl]-

Systematic Name

English

Code System Code Type Description

FDA UNII

4RGK66HQ5J

Created by admin on Wed Apr 02 19:47:39 GMT 2025 , Edited by admin on Wed Apr 02 19:47:39 GMT 2025

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CAS

121584-09-6

Created by admin on Wed Apr 02 19:47:39 GMT 2025 , Edited by admin on Wed Apr 02 19:47:39 GMT 2025

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