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2055041-39-7 | Mal-PEG4-Val-Cit-PAB-OH
CAS No: 2055041-39-7 Catalog No: AG019E66 MDL No:
Product Description
Catalog Number:
AG019E66
Chemical Name:
Mal-PEG4-Val-Cit-PAB-OH
CAS Number:
2055041-39-7
IUPAC Name:
(2S)-5-(carbamoylamino)-2-[[(2S)-2-[3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]-N-[4-(hydroxymethyl)phenyl]pentanamide
InChI:
InChI=1S/C33H50N6O11/c1-23(2)30(32(45)37-26(4-3-12-35-33(34)46)31(44)36-25-7-5-24(22-40)6-8-25)38-27(41)11-14-47-16-18-49-20-21-50-19-17-48-15-13-39-28(42)9-10-29(39)43/h5-10,23,26,30,40H,3-4,11-22H2,1-2H3,(H,36,44)(H,37,45)(H,38,41)(H3,34,35,46)/t26-,30-/m0/s1
InChI Key:
RFGYJIMAJDHMSQ-YZNIXAGQSA-N
Properties
Complexity:
1100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
706.354g/mol
Formal Charge:
0
Heavy Atom Count:
50
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
706.794g/mol
Monoisotopic Mass:
706.354g/mol
Rotatable Bond Count:
26
Topological Polar Surface Area:
237A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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