oxeclosporin (Q27287882)

Oxeclosporin (English)

14 October 2016

chemical formula

C₆₄H₁₁₅N₁₁O₁₄

1 reference

Oxeclosporin (English)

14 October 2016

canonical SMILES

CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)COCCO)C)CC(C)C)C)C(C)C)CC(C)C)C)C

1 reference

Oxeclosporin (English)

14 October 2016

isomeric SMILES

CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)COCCO)C)CC(C)C)C)C(C)C)CC(C)C)C)C

1 reference

Oxeclosporin (English)

World Health Organisation international non-proprietary name

14 October 2016

oxeclosporin (English)

1 reference

published in

Recommended INN: List 34

publication date

1994

subject has role

immunosuppressive drug

1 reference

stated in

Medical Subject Headings

MeSH descriptor ID

C075935

InChI=1S/C64H115N11O14/c1-24-26-27-42(15)54(78)53-58(82)66-44(25-2)59(83)69(17)34-50(77)70(18)46(30-36(3)4)57(81)68-51(40(11)12)63(87)71(19)47(31-37(5)6)56(80)65-43(16)55(79)67-45(35-89-29-28-76)60(84)72(20)48(32-38(7)8)61(85)73(21)49(33-39(9)10)62(86)74(22)52(41(13)14)64(88)75(53)23/h24,26,36-49,51-54,76,78H,25,27-35H2,1-23H3,(H,65,80)(H,66,82)(H,67,79)(H,68,81)/b26-24+/t42-,43+,44+,45-,46+,47+,48+,49+,51+,52+,53+,54-/m1/s1

15 March 2018

Identifiers

InChI

1 reference

based on heuristic

inferred from SMILES

InChIKey

XZDDMPMZGYEESG-VNHFGJPGSA-N

1 reference

Global Substance Registration System

Oxeclosporin (English)

14 October 2016

1 reference

UNII

R7988D03JM

oxeclosporin (English)

14 October 2016

1 reference

(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-Ethyl-12-[(2-hydroxyethoxy)methyl]-33-[(1R,2R,4E)-1-hydroxy-2-methylhex-4-en-1-yl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,15,19,25,28-octamethyl-1, (English)

14 October 2016

2 references