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128554-80-3 | L-Arginine, N2-[[[6-(1,6-dihydro-6-oxo-9H-purin-9-yl)hexyl]oxy]carbonyl]-
CAS No: 128554-80-3 Catalog No: AG000Y6T MDL No:
Product Description
Catalog Number:
AG000Y6T
Chemical Name:
L-Arginine, N2-[[[6-(1,6-dihydro-6-oxo-9H-purin-9-yl)hexyl]oxy]carbonyl]-
CAS Number:
128554-80-3
Molecular Formula:
C18H28N8O5
Molecular Weight:
436.4655
IUPAC Name:
(2S)-5-(diaminomethylideneamino)-2-[6-(6-oxo-1H-purin-9-yl)hexoxycarbonylamino]pentanoic acid
InChI:
InChI=1S/C18H28N8O5/c19-17(20)21-7-5-6-12(16(28)29)25-18(30)31-9-4-2-1-3-8-26-11-24-13-14(26)22-10-23-15(13)27/h10-12H,1-9H2,(H,25,30)(H,28,29)(H4,19,20,21)(H,22,23,27)/t12-/m0/s1
InChI Key:
VNIODVOGDFDIJQ-LBPRGKRZSA-N
SMILES:
NC(=N)NCCC[C@@H](C(=O)O)NC(=O)OCCCCCCn1cnc2c1nc[nH]c2=O
Properties
Complexity:
682
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
436.218g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
436.473g/mol
Monoisotopic Mass:
436.218g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
199A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
Literature
| Title | Journal |
|---|---|
| Synthetic biological response modifiers; Part 1. Synthesis and immunomodulatory properties of some N2-(omega-(hypoxanthin-9-yl)alkoxycarbonyl)-L-arginines. | Farmaco (Societa chimica italiana : 1989) 19900101 |
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