Cyclosporin A, 6-[(3R,4R)-3-hydroxy-N,4-dimethyl-6-oxo-L-norleucine]-

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]-

Structure Search

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

Molecular Formula	C60H107N11O13
Molecular Weight	1190.5575
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:56:40 GMT 2025` Edited by `admin` on `Wed Apr 02 19:56:40 GMT 2025`
Record UNII	V7RC6ZJB26
Record Status	`Validated (UNII)`
Record Version

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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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