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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C63H111N11O12
Molecular Weight	1214.6219
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-hydroxy-4-methyl-2-(methylamino)-6,8-nonadienoic acid]-

Structure Search

SMILES

CC[C@@H]1NC(=O)[C@H]([C@H](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=BICRTLVBTLFLRD-OVKPCXMZSA-N

InChI=1S/C63H111N11O12/c1-25-27-28-29-41(15)53(76)52-57(80)66-44(26-2)59(82)68(18)34-49(75)69(19)45(30-35(3)4)56(79)67-50(39(11)12)62(85)70(20)46(31-36(5)6)55(78)64-42(16)54(77)65-43(17)58(81)71(21)47(32-37(7)8)60(83)72(22)48(33-38(9)10)61(84)73(23)51(40(13)14)63(86)74(52)24/h25,27-28,35-48,50-53,76H,1,26,29-34H2,2-24H3,(H,64,78)(H,65,77)(H,66,80)(H,67,79)/b28-27-/t41-,42+,43-,44+,45+,46+,47+,48+,50+,51+,52+,53-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

Cyclosporin A, 6-[(3R,4R,6Z)-6,7,8,9-tetradehydro-3-hydroxy-N,4-dimethyl-L-2-aminononanoic acid]-

Preferred Name

English

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

Common Name

English

(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-Ethyl-33-[(1R,2R,4Z)-1-hydroxy-2-methyl-4,6-heptadienyl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,19,25,28-heptamethyl-12,15-dimethyl-1,4,7,10,13,16,19,22,25,28,31-undecaaza-2,5,8,11,14,17,20,23,26,29,32

Systematic Name

English

(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-Ethyl-33-[(1R,2R,4Z)-1-hydroxy-2-methylhepta-4,6-dienyl]-1,4,7,10,19,25,28-heptamethyl-12,15-dimethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-bis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriaco

Systematic Name

English

Cyclosporin A-Derivative 3

Common Name

English

Code System Code Type Description

CAS

121584-34-7

Created by admin on Wed Apr 02 20:04:31 GMT 2025 , Edited by admin on Wed Apr 02 20:04:31 GMT 2025

PRIMARY

PUBCHEM

10285381

Created by admin on Wed Apr 02 20:04:31 GMT 2025 , Edited by admin on Wed Apr 02 20:04:31 GMT 2025

PRIMARY

FDA UNII

ZS96EB7FQ7

Created by admin on Wed Apr 02 20:04:31 GMT 2025 , Edited by admin on Wed Apr 02 20:04:31 GMT 2025

PRIMARY

SUBSTANCE RECORD


					ZS96EB7FQ7

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