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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H45N9O8
Molecular Weight 671.7445
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IRI-514

SMILES

CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(N)=O

InChI

InChIKey=FMBHHLGHCVSGTR-LSBAASHUSA-N
InChI=1S/C31H45N9O8/c1-18(41)36-20(10-5-13-35-31(33)34)29(47)39-14-6-12-24(39)28(46)38-22(17-25(42)43)30(48)40-15-7-11-23(40)27(45)37-21(26(32)44)16-19-8-3-2-4-9-19/h2-4,8-9,20-24H,5-7,10-17H2,1H3,(H2,32,44)(H,36,41)(H,37,45)(H,38,46)(H,42,43)(H4,33,34,35)/t20-,21-,22-,23-,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula C31H45N9O8
Molecular Weight 671.7445
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:15:34 GMT 2023
Edited
by admin
on Sat Dec 16 18:15:34 GMT 2023
Record UNII
SNJ6ZJ8DEL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IRI-514
Code English
L-PHENYLALANINAMIDE, N2-ACETYL-L-ARGINYL-L-PROLYL-L-.ALPHA.-ASPARTYL-L-PROLYL-
Systematic Name English
N-ACETYL-ARG-PRO-ASP-PRO-PHE-NH2
Common Name English
Code System Code Type Description
CAS
147489-65-4
Created by admin on Sat Dec 16 18:15:34 GMT 2023 , Edited by admin on Sat Dec 16 18:15:34 GMT 2023
PRIMARY
PUBCHEM
101669733
Created by admin on Sat Dec 16 18:15:34 GMT 2023 , Edited by admin on Sat Dec 16 18:15:34 GMT 2023
PRIMARY
FDA UNII
SNJ6ZJ8DEL
Created by admin on Sat Dec 16 18:15:34 GMT 2023 , Edited by admin on Sat Dec 16 18:15:34 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY