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Details

Stereochemistry ABSOLUTE
Molecular Formula C48H65N15O9
Molecular Weight 996.1248
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PL-8177

SMILES

CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CNC=N3)NC1=O)C(=O)N[C@@H](CC4=CNC5=C4C=CC=C5)C(N)=O

InChI

InChIKey=KPDWCDURFGPKLY-PDBPWWFNSA-N
InChI=1S/C48H65N15O9/c1-3-4-14-33(57-27(2)64)42(67)59-35-17-18-40(65)55-25-39(47(72)60-36(41(49)66)21-29-23-54-32-15-9-8-13-31(29)32)63-43(68)34(16-10-19-53-48(50)51)58-45(70)37(20-28-11-6-5-7-12-28)61-46(71)38(62-44(35)69)22-30-24-52-26-56-30/h5-9,11-13,15,23-24,26,33-39,54H,3-4,10,14,16-22,25H2,1-2H3,(H2,49,66)(H,52,56)(H,55,65)(H,57,64)(H,58,70)(H,59,67)(H,60,72)(H,61,71)(H,62,69)(H,63,68)(H4,50,51,53)/t33-,34-,35-,36-,37+,38-,39-/m0/s1

HIDE SMILES / InChI

Molecular Formula C48H65N15O9
Molecular Weight 996.1248
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:12:00 GMT 2023
Edited
by admin
on Sat Dec 16 09:12:00 GMT 2023
Record UNII
16134B0YTH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PL-8177
Common Name English
L-TRYPTOPHANAMIDE, N-ACETYL-L-NORLEUCYL-L-.ALPHA.-GLUTAMYL-L-HISTIDYL-D-PHENYLALANYL-L-ARGINYL-3-AMINO-L-ALANYL-, (2->6)-LACTAM
Systematic Name English
AC-NLE-CYCLO-(GLU-HIS-D-PHE-ARG-DAP)-TRP-NH2
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 670418
Created by admin on Sat Dec 16 09:12:00 GMT 2023 , Edited by admin on Sat Dec 16 09:12:00 GMT 2023
Code System Code Type Description
PUBCHEM
88944400
Created by admin on Sat Dec 16 09:12:00 GMT 2023 , Edited by admin on Sat Dec 16 09:12:00 GMT 2023
PRIMARY
FDA UNII
16134B0YTH
Created by admin on Sat Dec 16 09:12:00 GMT 2023 , Edited by admin on Sat Dec 16 09:12:00 GMT 2023
PRIMARY
CAS
1309111-58-7
Created by admin on Sat Dec 16 09:12:00 GMT 2023 , Edited by admin on Sat Dec 16 09:12:00 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY