DN-1417

Details

Stereochemistry	EPIMERIC
Molecular Formula	C16H21N5O5.C6H8O7
Molecular Weight	555.492
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)CC(O)(CC(O)=O)C(O)=O.NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CN=CN2)NC(=O)C3CCC(=O)O3

InChI

InChIKey=YYPBZNVNEDBLON-MEMPEZCVSA-N

InChI=1S/C16H21N5O5.C6H8O7/c17-14(23)11-2-1-5-21(11)16(25)10(6-9-7-18-8-19-9)20-15(24)12-3-4-13(22)26-12;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-8,10-12H,1-6H2,(H2,17,23)(H,18,19)(H,20,24);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t10-,11-,12?;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C16H21N5O5
Molecular Weight	363.3684
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	2 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C6H8O7
Molecular Weight	192.1235
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 `Mon Mar 31 17:50:47 GMT 2025` Edited by `admin` on `Mon Mar 31 17:50:47 GMT 2025`
Record UNII	9JOJ59K254
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DN-1417

Common Name

English

.GAMMA.-BUTYROLACTONE-.GAMMA.-CARBONYL-L-HISTIDYL-L-PROLINAMIDE CITRATE

Preferred Name

English

L-PROLINAMIDE, N-((TETRAHYDRO-5-OXO-2-FURANYL)CARBONYL)-L-HISTIDYL-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1)

Common Name

English

GAMMA-BUTYROLACTONE-GAMMA-CARBONYL-L-HISTIDYL-L-PROLINAMIDE CITRATE

Common Name

English

Code System Code Type Description

FDA UNII

9JOJ59K254

Created by admin on Mon Mar 31 17:50:47 GMT 2025 , Edited by admin on Mon Mar 31 17:50:47 GMT 2025

PRIMARY

CAS

77026-81-4

Created by admin on Mon Mar 31 17:50:47 GMT 2025 , Edited by admin on Mon Mar 31 17:50:47 GMT 2025

PRIMARY

PUBCHEM

156883

Created by admin on Mon Mar 31 17:50:47 GMT 2025 , Edited by admin on Mon Mar 31 17:50:47 GMT 2025

PRIMARY