Bofutrelvir

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H32N4O4
Molecular Weight	452.546
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC2CCCCC2)NC(=O)C3=CC4=CC=CC=C4N3

InChI

InChIKey=HPKJGHVHQWJOOT-ZJOUEHCJSA-N

InChI=1S/C25H32N4O4/c30-15-19(13-18-10-11-26-23(18)31)27-24(32)21(12-16-6-2-1-3-7-16)29-25(33)22-14-17-8-4-5-9-20(17)28-22/h4-5,8-9,14-16,18-19,21,28H,1-3,6-7,10-13H2,(H,26,31)(H,27,32)(H,29,33)/t18-,19-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H32N4O4
Molecular Weight	452.546
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:26:32 GMT 2023` Edited by `admin` on `Sat Dec 16 16:26:32 GMT 2023`
Record UNII	T5UX5SKK2S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Bofutrelvir

Official Name

English

bofutrelvir [INN]

Common Name

English

MPRO INHIBITOR 11A

Common Name

English

1H-INDOLE-2-CARBOXAMIDE, N-((1S)-1-(CYCLOHEXYLMETHYL)-2-(((1S)-1-FORMYL-2-((3S)-2-OXO-3-PYRROLIDINYL)ETHYL)AMINO)-2-OXOETHYL)-

Systematic Name

English

MPI-10

Code

English

N-((S)-3-CYCLOHEXYL-1-OXO-1-(((S)-1-OXO-3-((S)-2-OXOPYRROLIDIN-3-YL)-PROPAN-2-YL)AMINO)PROPAN-2-YL)-1H-INDOLE-2-CARBOXAMIDE

Systematic Name

English

CORONAVIRUS PROTEASE 3CLPRO INHIBITOR 11A

Common Name

English

Code System Code Type Description

CAS

2103278-86-8