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2-{2-[2-(2-amino-3-methylbutanamido)acetamido]-3-hydroxypropanamido}pentanedioic acid
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ChemBase ID:
103763
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Molecular Formular:
C15H26N4O8
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Molecular Mass:
390.38894
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Monoisotopic Mass:
390.17506381
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SMILES and InChIs
SMILES:
CC(C)C(N)C(=O)NCC(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)O
Canonical SMILES:
OCC(C(=O)NC(C(=O)O)CCC(=O)O)NC(=O)CNC(=O)C(C(C)C)N
InChI:
InChI=1S/C15H26N4O8/c1-7(2)12(16)14(25)17-5-10(21)18-9(6-20)13(24)19-8(15(26)27)3-4-11(22)23/h7-9,12,20H,3-6,16H2,1-2H3,(H,17,25)(H,18,21)(H,19,24)(H,22,23)(H,26,27)
InChIKey:
KDZIGQIDPXKMBA-UHFFFAOYSA-N
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Cite this record
CBID:103763 http://www.chembase.cn/molecule-103763.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-{2-[2-(2-amino-3-methylbutanamido)acetamido]-3-hydroxypropanamido}pentanedioic acid
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IUPAC Traditional name
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2-{2-[2-(2-amino-3-methylbutanamido)acetamido]-3-hydroxypropanamido}pentanedioic acid
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Synonyms
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Eosinophilotactic Tetrapeptide
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VGSG
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VAL-GLY-SER-GLU
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CAS Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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3.0305855
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H Acceptors
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9
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H Donor
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7
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LogD (pH = 5.5)
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-7.257922
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LogD (pH = 7.4)
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-8.863783
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Log P
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-5.8094726
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Molar Refractivity
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89.225296 cm3
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Polarizability
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35.506443 Å3
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Polar Surface Area
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208.15 Å2
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Rotatable Bonds
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12
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Lipinski's Rule of Five
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false
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PROPERTIES
PROPERTIES
Safety Information
Product Information
Bioassay(PubChem)
Storage Condition
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0°C
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Show
data source
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MSDS Link
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REFERENCES
REFERENCES
From Suppliers
Google Scholar
PubMed
Google Books
- • Goetzl, E.J. and Austen, F., Proc. Natl. Acad. Sci. USA, 72: 4123, (1975).
- • Turnbull, L.W., et al., Immunology, 32: 57, (1977).
- • Beswick, P.H. and Kay, A.B., Clin. Exp. Immunol., 43: 399 (1981).
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PATENTS
PATENTS
PubChem Patent
Google Patent