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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H37N7O6.C6H8O7
Molecular Weight 675.6864
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IRI-695

SMILES

CC(C)CN=C([C@]([H])(CC(=O)O)N=C([C@]1([H])CCCN1C(=O)[C@]([H])(CCCNC(=N)N)N=C(C)O)O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

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 C6H8O7
Molecular Weight 192.1238
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C21H37N7O6
Molecular Weight 483.5626
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 12:57:31 UTC 2021
Edited
by admin
on Sat Jun 26 12:57:31 UTC 2021
Record UNII
4O4WK05I0Z
Record Status Validated (UNII)
Record Version
  • Download
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 Sat Jun 26 12:57:31 UTC 2021 , Edited by admin on Sat Jun 26 12:57:31 UTC 2021
PRIMARY
PUBCHEM
9917871
Created by admin on Sat Jun 26 12:57:31 UTC 2021 , Edited by admin on Sat Jun 26 12:57:31 UTC 2021
PRIMARY
FDA UNII
4O4WK05I0Z
Created by admin on Sat Jun 26 12:57:31 UTC 2021 , Edited by admin on Sat Jun 26 12:57:31 UTC 2021
PRIMARY
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