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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H37N7O6
Molecular Weight 483.5618
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IRI-695 FREE BASE

SMILES

[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=XDFRLRDJCYFKBE-JYJNAYRXSA-N
InChI=1S/C21H37N7O6/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/h12,14-16H,4-11H2,1-3H3,(H,25,32)(H,26,29)(H,27,33)(H,30,31)(H4,22,23,24)/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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:44:31 GMT 2023
Edited
by admin
on Sat Dec 16 14:44:31 GMT 2023
Record UNII
OIB5QD47RR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IRI-695 FREE BASE
Code English
L-.ALPHA.-ASPARAGINE, N2-(1-(N2-ACETYL-L-ARGINYL)-L-PROLYL)-N-(2-METHYLPROPYL)-
Systematic Name English
Code System Code Type Description
CAS
162821-52-5
Created by admin on Sat Dec 16 14:44:31 GMT 2023 , Edited by admin on Sat Dec 16 14:44:31 GMT 2023
PRIMARY
FDA UNII
OIB5QD47RR
Created by admin on Sat Dec 16 14:44:31 GMT 2023 , Edited by admin on Sat Dec 16 14:44:31 GMT 2023
PRIMARY
PUBCHEM
9805315
Created by admin on Sat Dec 16 14:44:31 GMT 2023 , Edited by admin on Sat Dec 16 14:44:31 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT