-
5-carbamimidamido-N-(1-carbamoyl-2-phenylethyl)-2-{2-[(5-oxopyrrolidin-2-yl)formamido]acetamido}pentanamide
-
ChemBase ID:
103857
-
Molecular Formular:
C22H32N8O5
-
Molecular Mass:
488.54008
-
Monoisotopic Mass:
488.24956616
-
SMILES and InChIs
SMILES:
NC(=N)NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)NC(Cc1ccccc1)C(=O)N
Canonical SMILES:
O=C(NC(C(=O)NC(C(=O)N)Cc1ccccc1)CCCNC(=N)N)CNC(=O)C1CCC(=O)N1
InChI:
InChI=1S/C22H32N8O5/c23-19(33)16(11-13-5-2-1-3-6-13)30-21(35)14(7-4-10-26-22(24)25)29-18(32)12-27-20(34)15-8-9-17(31)28-15/h1-3,5-6,14-16H,4,7-12H2,(H2,23,33)(H,27,34)(H,28,31)(H,29,32)(H,30,35)(H4,24,25,26)
InChIKey:
CMWHGNOBFVLNTC-UHFFFAOYSA-N
-
Cite this record
CBID:103857 http://www.chembase.cn/molecule-103857.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
5-carbamimidamido-N-(1-carbamoyl-2-phenylethyl)-2-{2-[(5-oxopyrrolidin-2-yl)formamido]acetamido}pentanamide
|
|
|
IUPAC Traditional name
|
5-carbamimidamido-N-(1-carbamoyl-2-phenylethyl)-2-{2-[(5-oxopyrrolidin-2-yl)formamido]acetamido}pentanamide
|
|
|
Synonyms
|
Antho-RFamide
|
pGlu-Gly-Arg-Phe amide acetate salt
|
PyroGLU-GLY-ARG-PHE AMIDE
|
|
|
CAS Number
|
|
MDL Number
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
|
11.036199
|
H Acceptors
|
8
|
H Donor
|
8
|
LogD (pH = 5.5)
|
-5.544108
|
LogD (pH = 7.4)
|
-5.5288277
|
Log P
|
-3.6905656
|
Molar Refractivity
|
135.3531 cm3
|
Polarizability
|
48.253613 Å3
|
Polar Surface Area
|
221.39 Å2
|
Rotatable Bonds
|
13
|
Lipinski's Rule of Five
|
false
|
DETAILS
DETAILS
MP Biomedicals
Sigma Aldrich
MP Biomedicals -
02153102
|
A neuropeptide originally isolated from the pennatulid Renilla koellikeri and the sea anemone Anthopleura elegantissima. |
Sigma Aldrich -
P9799
|
Biochem/physiol Actions May be a neurotransmitter at neuromuscular junctions. Other Notes Neuropeptide originally isolated from the pennatulid Renilla koellikeri and the sea anemone Anthopleura elegantissima |
REFERENCES
REFERENCES
From Suppliers
Google Scholar
PubMed
Google Books
- • Grimmelikhuijzen, C.J.P. and Graff, D., Proc. Natl. Acad. Sci. USA, 83: 9817, (1986).
- • Gimmelikhuijzen, C.J.P. and Gregor, A., FEBS Lett., 211: 105, (1987).
- Searching...Please wait...
PATENTS
PATENTS
PubChem Patent
Google Patent