Olgotrelvir Sodium

Details

Stereochemistry	EPIMERIC
Molecular Formula	C22H29N4O7S.Na
Molecular Weight	516.543
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].CC(C)C[C@H](NC(=O)C1=CC2=C(N1)C=CC=C2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(O)S([O-])(=O)=O

InChI

InChIKey=WEMYKLGDWNXOBX-MMUJOADSSA-M

InChI=1S/C22H30N4O7S.Na/c1-12(2)9-16(25-21(29)17-10-13-5-3-4-6-15(13)24-17)20(28)26-18(22(30)34(31,32)33)11-14-7-8-23-19(14)27;/h3-6,10,12,14,16,18,22,24,30H,7-9,11H2,1-2H3,(H,23,27)(H,25,29)(H,26,28)(H,31,32,33);/q;+1/p-1/t14-,16-,18-,22?;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C22H29N4O7S
Molecular Weight	493.553
Charge	-1
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	3 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 16:00:04 GMT 2025` Edited by `admin` on `Wed Apr 02 16:00:04 GMT 2025`
Record UNII	P6R34G4NQQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

OLGOTRELVIR SODIUM [USAN]

Preferred Name

English

Olgotrelvir Sodium

Official Name

English

Sodium (2S)-2-((S)-2-(1H-indole-2-carboxamido)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl) propane-1-sulfonate

Systematic Name

English

3-Pyrrolidinepropanesulfonic acid, ?-hydroxy-?-[[(2S)-2-[(1H-indol-2-ylcarbonyl)amino]-4-methyl-1-oxopentyl]amino]-2-oxo-, sodium salt (1:1), (?S,3S)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

166157330