U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C60H107N11O13
Molecular Weight 1190.5575
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Cyclosporin A, 6-[(3R,4R)-3-hydroxy-N,4-dimethyl-6-oxo-L-norleucine]-

SMILES

CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)CC=O)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=PTZSMPSMNRDNGC-MKCJGBMWSA-N
InChI=1S/C60H107N11O13/c1-24-41-56(80)65(17)31-46(73)66(18)42(27-32(2)3)53(77)64-47(36(10)11)59(83)67(19)43(28-33(4)5)52(76)61-39(15)51(75)62-40(16)55(79)68(20)44(29-34(6)7)57(81)69(21)45(30-35(8)9)58(82)70(22)48(37(12)13)60(84)71(23)49(54(78)63-41)50(74)38(14)25-26-72/h26,32-45,47-50,74H,24-25,27-31H2,1-23H3,(H,61,76)(H,62,75)(H,63,78)(H,64,77)/t38-,39+,40-,41+,42+,43+,44+,45+,47+,48+,49+,50-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Cyclosporin A, 6-[(3R,4R)-3-hydroxy-N,4-dimethyl-6-oxo-L-norleucine]-
Common Name English
(3R,4R)-4-[(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-undecaazacyclotritr
Preferred Name English
(3R,4R)-4-[(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]-4-h
Systematic Name English
Code System Code Type Description
CAS
166820-70-8
Created by admin on Wed Apr 02 19:56:40 GMT 2025 , Edited by admin on Wed Apr 02 19:56:40 GMT 2025
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FDA UNII
V7RC6ZJB26
Created by admin on Wed Apr 02 19:56:40 GMT 2025 , Edited by admin on Wed Apr 02 19:56:40 GMT 2025
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