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Details

Stereochemistry ABSOLUTE
Molecular Formula C84H131N25O17
Molecular Weight 1763.0962
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CP-12

SMILES

CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2=CNC=N2)NC(=O)[C@H](CO)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC5=CNC6=C5C=CC=C6)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC7=CC=C(O)C=C7)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC1=O)[C@@H](C)CC

InChI

InChIKey=IZEYWQHWXBTEIK-POJYALDXSA-N
InChI=1S/C84H131N25O17/c1-7-47(5)67-79(123)103-59(37-46(3)4)71(115)96-56(23-15-33-92-83(87)88)70(114)101-61(39-50-41-94-54-20-10-9-19-53(50)54)72(116)98-58(24-16-34-93-84(89)90)82(126)108-35-17-25-65(108)77(121)99-57(22-12-14-32-86)81(125)109-36-18-26-66(109)78(122)104-63(43-110)76(120)102-62(40-51-42-91-45-95-51)74(118)107-68(48(6)8-2)80(124)105-64(44-111)75(119)97-55(21-11-13-31-85)69(113)100-60(73(117)106-67)38-49-27-29-52(112)30-28-49/h9-10,19-20,27-30,41-42,45-48,55-68,94,110-112H,7-8,11-18,21-26,31-40,43-44,85-86H2,1-6H3,(H,91,95)(H,96,115)(H,97,119)(H,98,116)(H,99,121)(H,100,113)(H,101,114)(H,102,120)(H,103,123)(H,104,122)(H,105,124)(H,106,117)(H,107,118)(H4,87,88,92)(H4,89,90,93)/t47-,48-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-/m0/s1

HIDE SMILES / InChI

Molecular Formula C84H131N25O17
Molecular Weight 1763.0962
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 16 / 16
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:19:24 GMT 2023
Edited
by admin
on Sat Dec 16 18:19:24 GMT 2023
Record UNII
SM5MFZ7FKP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CP-12
Code English
CP12
Code English
PROLYL-L-SERYL-L-HISTIDYL-L-ISOLEUCYL-L-SERYL-L-LYSYL-L-TYROSYL-L-ISOLEUCYL-L-LEUCYL- L-ARGINYL-L-TRYPTOPHANYL-L-ARGINYL-L-PROLYL-L-LYSYL), CYCLO (1-14)
Common Name English
CYCLIZED P12 (PEPTIDE BOND BETWEEN THE CARBOXY AND AMINO-TERMINAL ENDS OF THE LINEAR PEPTIDE PSHISKYILRWRPK)
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 311510
Created by admin on Sat Dec 16 18:19:25 GMT 2023 , Edited by admin on Sat Dec 16 18:19:25 GMT 2023
Code System Code Type Description
FDA UNII
SM5MFZ7FKP
Created by admin on Sat Dec 16 18:19:25 GMT 2023 , Edited by admin on Sat Dec 16 18:19:25 GMT 2023
PRIMARY
PUBCHEM
135390812
Created by admin on Sat Dec 16 18:19:25 GMT 2023 , Edited by admin on Sat Dec 16 18:19:25 GMT 2023
PRIMARY
Related Record Type Details
TARGET->MIMETIC
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY