[Abu<sup>5</sup>]cyclosporin

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C61H109N11O12
Molecular Weight	1188.5847
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of [Abu<sup>5</sup>]cyclosporin

Structure Search

SMILES

CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](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](CC)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O

InChI

InChIKey=IPDSMZFDGQKXHO-AYGVNIPJSA-N

InChI=1S/C61H109N11O12/c1-24-27-28-39(14)51(74)50-55(78)65-42(25-2)57(80)66(17)33-48(73)67(18)44(29-34(4)5)54(77)64-43(26-3)58(81)68(19)45(30-35(6)7)53(76)62-40(15)52(75)63-41(16)56(79)69(20)46(31-36(8)9)59(82)70(21)47(32-37(10)11)60(83)71(22)49(38(12)13)61(84)72(50)23/h24,27,34-47,49-51,74H,25-26,28-33H2,1-23H3,(H,62,76)(H,63,75)(H,64,77)(H,65,78)/b27-24+/t39-,40+,41-,42+,43+,44+,45+,46+,47+,49+,50+,51-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C61H109N11O12
Molecular Weight	1188.5847
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 20:01:03 GMT 2025` Edited by `admin` on `Wed Apr 02 20:01:03 GMT 2025`
Record UNII	XA32VC7B78
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

10-[(2S)-2-Aminobutanoic acid]cyclosporin A

Preferred Name

English

[Abu<sup>5</sup>]cyclosporin

Common Name

English

Cyclosporin A, 10-[(2S)-2-aminobutanoic acid]-

Common Name

English

(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-21,30-Diethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3-propan-2-yl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,

Systematic Name

English

Code System Code Type Description

CAS

437611-17-1

Created by admin on Wed Apr 02 20:01:03 GMT 2025 , Edited by admin on Wed Apr 02 20:01:03 GMT 2025

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PUBCHEM

25209717

Created by admin on Wed Apr 02 20:01:03 GMT 2025 , Edited by admin on Wed Apr 02 20:01:03 GMT 2025

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FDA UNII

XA32VC7B78

Created by admin on Wed Apr 02 20:01:03 GMT 2025 , Edited by admin on Wed Apr 02 20:01:03 GMT 2025

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