N-((TRANS-4-((1R)-1,2-DIHYDROXY-1-METHYLETHYL)CYCLOHEXYL)CARBONYL)-D-PHENYLALANINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H27NO5
Molecular Weight	349.4214
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-((TRANS-4-((1R)-1,2-DIHYDROXY-1-METHYLETHYL)CYCLOHEXYL)CARBONYL)-D-PHENYLALANINE

Structure Search

SMILES

C[C@](O)(CO)[C@H]1CC[C@@H](CC1)C(=O)N[C@H](CC2=CC=CC=C2)C(O)=O

InChI

InChIKey=IQRZZFUXRZWAPZ-NNFUDEMPSA-N

InChI=1S/C19H27NO5/c1-19(25,12-21)15-9-7-14(8-10-15)17(22)20-16(18(23)24)11-13-5-3-2-4-6-13/h2-6,14-16,21,25H,7-12H2,1H3,(H,20,22)(H,23,24)/t14-,15-,16-,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C19H27NO5
Molecular Weight	349.4214
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Thu Jul 06 14:16:40 UTC 2023` Edited by `admin` on `Thu Jul 06 14:16:40 UTC 2023`
Record UNII	P17J6R22FW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-((TRANS-4-((1R)-1,2-DIHYDROXY-1-METHYLETHYL)CYCLOHEXYL)CARBONYL)-D-PHENYLALANINE

Systematic Name

English

D-PHENYLALANINE, N-((TRANS-4-((1R)-1,2-DIHYDROXY-1-METHYLETHYL)CYCLOHEXYL)CARBONYL)-

Systematic Name

English

NATEGLINIDE (M11,M12), (R)-

Common Name

English

NATEGLINIDE (METABOLITE M11,M12), (R)-

Common Name

English

Code System Code Type Description

CAS

347851-65-4

Created by admin on Thu Jul 06 14:16:40 UTC 2023 , Edited by admin on Thu Jul 06 14:16:40 UTC 2023

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FDA UNII

P17J6R22FW

Created by admin on Thu Jul 06 14:16:40 UTC 2023 , Edited by admin on Thu Jul 06 14:16:40 UTC 2023

PRIMARY

PUBCHEM

91667688

Created by admin on Thu Jul 06 14:16:40 UTC 2023 , Edited by admin on Thu Jul 06 14:16:40 UTC 2023

PRIMARY

Related Record Type Details


					41X3PWK4O2

NATEGLINIDE

PARENT -> METABOLITE

Qualification:

PLASMA