alisporivir (Q4727236)

PubChem

PubChem CID

11513676

Alisporivir (English)

14 October 2016

isomeric SMILES

CC[C@H]1C(=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)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)C)C)CC(C)C)C)C(C)C)C(C)C)CC)C)C

1 reference

Alisporivir (English)

World Health Organisation international non-proprietary name

14 October 2016

alisporivir (English)

1 reference

published in

Recommended INN: List 62

publication date

2009

Identifiers

InChI

InChI=1S/C63H113N11O12/c1-26-29-30-40(16)52(75)51-56(79)66-44(27-2)59(82)68(20)43(19)58(81)74(28-3)49(38(12)13)55(78)67-48(37(10)11)62(85)69(21)45(31-34(4)5)54(77)64-41(17)53(76)65-42(18)57(80)70(22)46(32-35(6)7)60(83)71(23)47(33-36(8)9)61(84)72(24)50(39(14)15)63(86)73(51)25/h26,29,34-52,75H,27-28,30-33H2,1-25H3,(H,64,77)(H,65,76)(H,66,79)(H,67,78)/b29-26+/t40-,41+,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,52-/m1/s1

1 reference

based on heuristic

inferred from SMILES

InChIKey

OLROWHGDTNFZBH-XEMWPYQTSA-N

1 reference

Global Substance Registration System

Alisporivir (English)

14 October 2016

1 reference

UNII

VBP9099AA6

alisporivir (English)

14 October 2016

1 reference

Alisporivir (English)

14 October 2016

2 references

Alisporivir (English)

matched by identifier from

14 October 2016

InChIKey

OLROWHGDTNFZBH-XEMWPYQTSA-N

ChEBI ID

149837

mapping relation type

exact match

2 references

matched by identifier from

ChEBI release 2021-03-01

International Chemical Identifier

InChI

InChI=1S/C63H113N11O12/c1-26-29-30-40(16)52(75)51-56(79)66-44(27-2)59(82)68(20)43(19)58(81)74(28-3)49(38(12)13)55(78)67-48(37(10)11)62(85)69(21)45(31-34(4)5)54(77)64-41(17)53(76)65-42(18)57(80)70(22)46(32-35(6)7)60(83)71(23)47(33-36(8)9)61(84)72(24)50(39(14)15)63(86)73(51)25/h26,29,34-52,75H,27-28,30-33H2,1-25H3,(H,64,77)(H,65,76)(H,66,79)(H,67,78)/b29-26+/t40-,41+,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,52-/m1/s1

1 reference

ALISPORIVIR (English)

14 October 2016

1 reference

807-328-0

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.234.903

27 December 2018

ECHA Substance Infocard ID

(3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)‑25,30‑diethyl-33‑[(1R,2R,4E)‑1-hydroxy-2‑methylhex‑4‑en‑1‑yl]-1,4,7,10,12,15,19,27,28‑nonamethyl-6,9,18‑tris(2‑methylpropyl)-3,21,24‑tri(propan‑2‑yl)-1,4,7,10,13,16,19,22,25,28,31‑undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32‑undecone (English)

quotation

CAS no.: 254435-95-5 (English)

100.234.903

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.234.903

27 December 2018