CYCLOSPORIN E

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 Search

SMILES

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

InChI

InChIKey=SYXYUKMELXLDBD-WKHWYDSQSA-N

InChI=1S/C61H109N11O12/c1-24-26-27-39(15)51(74)50-56(79)64-42(25-2)58(81)67(18)32-47(73)68(19)43(28-33(3)4)54(77)65-48(37(11)12)60(83)70(21)44(29-34(5)6)53(76)62-40(16)52(75)63-41(17)57(80)71(22)46(31-36(9)10)59(82)69(20)45(30-35(7)8)55(78)66-49(38(13)14)61(84)72(50)23/h24,26,33-46,48-51,74H,25,27-32H2,1-23H3,(H,62,76)(H,63,75)(H,64,79)(H,65,77)(H,66,78)/b26-24+/t39-,40+,41-,42+,43+,44+,45+,46+,48+,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 `Fri Dec 15 16:33:21 GMT 2023` Edited by `admin` on `Fri Dec 15 16:33:21 GMT 2023`
Record UNII	26496N541O
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CYCLOSPORIN E

Common Name

English

CYCLOSPORIN E, (-)-

Common Name

English

CYCLO(L-ALANYL-D-ALANYL-N-METHYL-L-LEUCYL-N-METHYL-L-LEUCYL-L-VALYL-(3R,4R,6E)-6,7-DIDEHYDRO-3-HYDROXY-N,4-DIMETHYL-L-2-AMINOOCTANOYL-L-2-AMINOBUTANOYL-N-METHYLGLYCYL-N-METHYL-L-LEUCYL-L-VALYL-N-METHYL-L-LEUCYL

Systematic Name

English

CYCLOSPORIN A, 5-L-VALINE-

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID10904565

Created by admin on Fri Dec 15 16:33:21 GMT 2023 , Edited by admin on Fri Dec 15 16:33:21 GMT 2023

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PUBCHEM

90478790

Created by admin on Fri Dec 15 16:33:21 GMT 2023 , Edited by admin on Fri Dec 15 16:33:21 GMT 2023

PRIMARY

FDA UNII

26496N541O

Created by admin on Fri Dec 15 16:33:21 GMT 2023 , Edited by admin on Fri Dec 15 16:33:21 GMT 2023

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CAS

63798-73-2

Created by admin on Fri Dec 15 16:33:21 GMT 2023 , Edited by admin on Fri Dec 15 16:33:21 GMT 2023

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