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135108-10-0 | enkephalin, Pen(2,5)-4'-iodo-Phe(4)-
CAS No: 135108-10-0 Catalog No: AG00AFBU MDL No:
Product Description
Catalog Number:
AG00AFBU
Chemical Name:
enkephalin, Pen(2,5)-4'-iodo-Phe(4)-
CAS Number:
135108-10-0
IUPAC Name:
(2S,4S)-4-amino-2-[[(Z)-2-amino-3-(4-iodophenyl)prop-2-enoyl]-[2-[[(2S)-2-amino-3-methyl-3-sulfanylbutanoyl]amino]acetyl]amino]-5-(4-hydroxyphenyl)-3-oxo-2-(2-sulfanylpropan-2-yl)pentanoic acid
InChI:
InChI=1S/C30H38IN5O7S2/c1-28(2,44)23(34)25(40)35-15-22(38)36(26(41)21(33)14-16-5-9-18(31)10-6-16)30(27(42)43,29(3,4)45)24(39)20(32)13-17-7-11-19(37)12-8-17/h5-12,14,20,23,37,44-45H,13,15,32-34H2,1-4H3,(H,35,40)(H,42,43)/b21-14-/t20-,23-,30-/m0/s1
InChI Key:
RWDPNBADSCMYQU-CMRLOBSVSA-N
Properties
Complexity:
1150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
1
Exact Mass:
771.126g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
771.686g/mol
Monoisotopic Mass:
771.126g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
221A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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