(1S,3S,5S)-2-((2S)-2-AMINO-2-(3,5-DIHYDROXYTRICYCLO(3.3.1.13,7)DEC-1-YL)ACETYL)-2-AZABICYCLO(3.1.0)HEXANE-3-CARBONITRILE

Details

Stereochemistry	MIXED
Molecular Formula	C18H25N3O3
Molecular Weight	331.4094
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (1S,3S,5S)-2-((2S)-2-AMINO-2-(3,5-DIHYDROXYTRICYCLO(3.3.1.13,7)DEC-1-YL)ACETYL)-2-AZABICYCLO(3.1.0)HEXANE-3-CARBONITRILE

Structure Search

SMILES

[H][C@@]12C[C@]1([H])N([C@@H](C2)C#N)C(=O)[C@@H](N)C34CC5CC(O)(CC(O)(C5)C3)C4

InChI

InChIKey=GAWUJFVQGSLSSZ-SZRCHTAPSA-N

InChI=1S/C18H25N3O3/c19-6-12-1-11-2-13(11)21(12)15(22)14(20)16-3-10-4-17(23,7-16)9-18(24,5-10)8-16/h10-14,23-24H,1-5,7-9,20H2/t10?,11-,12+,13+,14-,16?,17?,18?/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H25N3O3
Molecular Weight	331.4094
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	4 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:15:20 GMT 2023` Edited by `admin` on `Sat Dec 16 15:15:20 GMT 2023`
Record UNII	PB91NV4HAN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(1S,3S,5S)-2-((2S)-2-AMINO-2-(3,5-DIHYDROXYTRICYCLO(3.3.1.13,7)DEC-1-YL)ACETYL)-2-AZABICYCLO(3.1.0)HEXANE-3-CARBONITRILE

Systematic Name

English

BMS 510849

Common Name

English

5-HYDROXY SAXAGLIPTIN

Common Name

English

M2 SAXAGLIPTIN HYDROXYLATED METABOLITE

Common Name

English

SAXAGLIPTIN METABOLITE M2

Common Name

English

2-AZABICYCLO(3.1.0)HEXANE-3-CARBONITRILE, 2-((2S)-2-AMINO-2-(3,5-DIHYDROXYTRICYCLO(3.3.1.13,7)DEC-1-YL)ACETYL)-, (1S,3S,5S)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

23645678