Voclosporin D

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C64H113N11O12
Molecular Weight	1228.6485
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C[C@@H]1N(C)C(=O)CN(C)C(=O)[C@@H](NC(=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](NC1=O)C(C)C)C(C)C

InChI

InChIKey=DQKKWMSIMKYVLK-VKJAAWNDSA-N

InChI=1S/C64H113N11O12/c1-26-27-28-29-42(16)54(77)53-58(81)68-50(39(10)11)62(85)69(19)34-49(76)70(20)45(30-35(2)3)57(80)67-51(40(12)13)63(86)71(21)46(31-36(4)5)56(79)65-43(17)55(78)66-44(18)59(82)72(22)47(32-37(6)7)60(83)73(23)48(33-38(8)9)61(84)74(24)52(41(14)15)64(87)75(53)25/h26-28,35-48,50-54,77H,1,29-34H2,2-25H3,(H,65,79)(H,66,78)(H,67,80)(H,68,81)/b28-27+/t42-,43+,44-,45+,46+,47+,48+,50+,51+,52+,53+,54-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C64H113N11O12
Molecular Weight	1228.6485
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 20:56:45 GMT 2025` Edited by `admin` on `Wed Apr 02 20:56:45 GMT 2025`
Record UNII	Y56E949GG5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Voclosporin D

Preferred Name

English

Code System Code Type Description

FDA UNII

Y56E949GG5

Created by admin on Wed Apr 02 20:56:45 GMT 2025 , Edited by admin on Wed Apr 02 20:56:45 GMT 2025

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PUBCHEM

171382733

Created by admin on Wed Apr 02 20:56:45 GMT 2025 , Edited by admin on Wed Apr 02 20:56:45 GMT 2025

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