IRI-695

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H37N7O6.C6H8O7
Molecular Weight	675.6853
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)CC(O)(CC(O)=O)C(O)=O.[H][C@]1(CCCN1C(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(C)C

InChI

InChIKey=GBRBDIAPFAYCMV-NLQWVURJSA-N

InChI=1S/C21H37N7O6.C6H8O7/c1-12(2)11-25-18(32)15(10-17(30)31)27-19(33)16-7-5-9-28(16)20(34)14(26-13(3)29)6-4-8-24-21(22)23;7-3(8)1-6(13,5(11)12)2-4(9)10/h12,14-16H,4-11H2,1-3H3,(H,25,32)(H,26,29)(H,27,33)(H,30,31)(H4,22,23,24);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t14-,15-,16-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C21H37N7O6
Molecular Weight	483.5618
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 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 `Fri Dec 15 16:22:43 UTC 2023` Edited by `admin` on `Fri Dec 15 16:22:43 UTC 2023`
Record UNII	4O4WK05I0Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

IRI-695

Code

English

ACETYL-ARG-PRO-ASP ISOBUTYLAMIDE CITRATE

Systematic Name

English

L-.ALPHA.-ASPARAGINE, N2-ACETYL-L-ARGINYL-L-PROLYL-N-(2-METHYLPROPYL)-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE

Systematic Name

English

Code System Code Type Description

CAS

174024-80-7

Created by admin on Fri Dec 15 16:22:43 UTC 2023 , Edited by admin on Fri Dec 15 16:22:43 UTC 2023

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EPA CompTox

DTXSID40938459

Created by admin on Fri Dec 15 16:22:43 UTC 2023 , Edited by admin on Fri Dec 15 16:22:43 UTC 2023

PRIMARY

PUBCHEM

9917871

Created by admin on Fri Dec 15 16:22:43 UTC 2023 , Edited by admin on Fri Dec 15 16:22:43 UTC 2023

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FDA UNII

4O4WK05I0Z

Created by admin on Fri Dec 15 16:22:43 UTC 2023 , Edited by admin on Fri Dec 15 16:22:43 UTC 2023

PRIMARY

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