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Details

Stereochemistry ABSOLUTE
Molecular Formula C45H62N10O6.C2H4O2
Molecular Weight 899.0891
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PMX-205 ACETATE

SMILES

CC(O)=O.[H][C@@]12CCCN1C(=O)[C@H](CCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC3=CNC4=CC=CC=C34)NC(=O)[C@@H](CC5CCCCC5)NC2=O)NC(=O)CCC6=CC=CC=C6

InChI

InChIKey=VGEBCKZIZDXNOW-AZRFDLDXSA-N
InChI=1S/C45H62N10O6.C2H4O2/c46-45(47)49-24-9-18-34-40(57)48-23-10-19-35(51-39(56)22-21-29-12-3-1-4-13-29)44(61)55-25-11-20-38(55)43(60)54-36(26-30-14-5-2-6-15-30)41(58)53-37(42(59)52-34)27-31-28-50-33-17-8-7-16-32(31)33;1-2(3)4/h1,3-4,7-8,12-13,16-17,28,30,34-38,50H,2,5-6,9-11,14-15,18-27H2,(H,48,57)(H,51,56)(H,52,59)(H,53,58)(H,54,60)(H4,46,47,49);1H3,(H,3,4)/t34-,35-,36+,37-,38-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C2H4O2
Molecular Weight 60.052
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C45H62N10O6
Molecular Weight 839.0372
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 13:25:58 UTC 2023
Edited
by admin
on Sat Dec 16 13:25:58 UTC 2023
Record UNII
7P258240O5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PMX-205 ACETATE
Common Name English
HYDROCINNAMATE-(ORN-PRO-DCHA-TRP-ARG)(CH3COO)
Common Name English
HYDROCINNAMATE-(ORN-PRO-DCHA-TRP-ARG)ACETATE
Common Name English
L-ARGININE, N2-(1-OXO-3-PHENYLPROPYL)-L-ORNITHYL-L-PROLYL-3-CYCLOHEXYL-D-ALANYL-L-TRYPTOPHYL-, (5->1)-LACTAM ACETATE
Systematic Name English
Classification Tree Code System Code
EU-Orphan Drug EU/3/15/1527
Created by admin on Sat Dec 16 13:25:58 UTC 2023 , Edited by admin on Sat Dec 16 13:25:58 UTC 2023
FDA ORPHAN DRUG 469014
Created by admin on Sat Dec 16 13:25:58 UTC 2023 , Edited by admin on Sat Dec 16 13:25:58 UTC 2023
Code System Code Type Description
PUBCHEM
91663319
Created by admin on Sat Dec 16 13:25:58 UTC 2023 , Edited by admin on Sat Dec 16 13:25:58 UTC 2023
PRIMARY
FDA UNII
7P258240O5
Created by admin on Sat Dec 16 13:25:58 UTC 2023 , Edited by admin on Sat Dec 16 13:25:58 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY