ELUNONAVIR

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C52H59F10N11O8
Molecular Weight	1156.0778
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)N[C@H](C(=O)N[C@@H](CC1=CC=C(C=C1)C#CC2=CN=C(N=C2)N3C[C@@H]4CC[C@H](C3)N4C5COC5)[C@@H](O)CN(CC6=C(F)C=C(C=C6F)C7=NN(C=C7)C(F)F)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C(F)(F)F)C(C)(C)C(F)(F)F

InChI

InChIKey=ZTSLYWLHCOINNI-NAGULJCZSA-N

InChI=1S/C52H59F10N11O8/c1-49(2,51(57,58)59)41(66-47(77)79-5)43(75)65-39(17-29-10-7-28(8-11-29)9-12-30-20-63-46(64-21-30)70-22-32-13-14-33(23-70)73(32)34-26-81-27-34)40(74)25-71(69-44(76)42(67-48(78)80-6)50(3,4)52(60,61)62)24-35-36(53)18-31(19-37(35)54)38-15-16-72(68-38)45(55)56/h7-8,10-11,15-16,18-21,32-34,39-42,45,74H,13-14,17,22-27H2,1-6H3,(H,65,75)(H,66,77)(H,67,78)(H,69,76)/t32-,33+,39-,40-,41+,42+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C52H59F10N11O8
Molecular Weight	1156.0778
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:22:13 UTC 2023` Edited by `admin` on `Sat Dec 16 18:22:13 UTC 2023`
Record UNII	JP9CB4S87F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ELUNONAVIR

Official Name

English

elunonavir [INN]

Common Name

English

2,5,6,10,13-PENTAAZATETRADECANEDIOIC ACID, 6-((4-(1-(DIFLUOROMETHYL)-1H-PYRAZOL-3-YL)-2,6-DIFLUOROPHENYL)METHYL)-8-HYDROXY-9-((4-(2-(2-(8-(3-OXETANYL)-3,8-DIAZABICYCLO(3.2.1)OCT-3-YL)-5-PYRIMIDINYL)ETHYNYL)PHENYL)METHYL)-4,11-DIOXO-3,12-BIS(2,2,2-TRIFLUO

Systematic Name

English

Code System Code Type Description

NCI_THESAURUS

C184891