POMAGLUMETAD METHIONIL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C12H18N2O7S2.H2O
Molecular Weight	384.426
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.[H][C@@]12[C@@H](C(O)=O)[C@]1([H])S(=O)(=O)C[C@@]2(NC(=O)[C@@H](N)CCSC)C(O)=O

InChI

InChIKey=HQMAHCKDJKNYEK-LBMFEJOUSA-N

InChI=1S/C12H18N2O7S2.H2O/c1-22-3-2-5(13)9(15)14-12(11(18)19)4-23(20,21)8-6(7(8)12)10(16)17;/h5-8H,2-4,13H2,1H3,(H,14,15)(H,16,17)(H,18,19);1H2/t5-,6+,7+,8-,12-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C12H18N2O7S2
Molecular Weight	366.411
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
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 `Fri Dec 15 15:55:15 UTC 2023` Edited by `admin` on `Fri Dec 15 15:55:15 UTC 2023`
Record UNII	WE665JB15R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

POMAGLUMETAD METHIONIL

Official Name

English

LY-2140023 MONOHYDRATE

Code

English

POMAGLUMETAD METHIONIL [USAN]

Common Name

English

(1R,4S,5S,6S)-4-(L-METHIONYLAMINO)-2-THIABICYCLO(3.1.0)HEXANE-4,6-DICARBOXYLIC ACID 2,2-DIOXIDE MONOHYDRATE

Systematic Name

English

LY2140023 MONOHYDRATE

Code

English

4-(((2S)-2-AMINO-4-(METHYLTHIO)BUTANOYL)AMINO)-2-THIABICYCLO(3.1.0)HEXANE-4,6-DICARBOXYLIC ACID 2,2-DIOXIDE HYDRATE, 1R,4S,5S,6S

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID10241907