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118896-98-3 | Diethylenetriaminepentaacetic acid α,ω-bis(biocytinamide)
CAS No: 118896-98-3 Catalog No: AG003PI7 MDL No:
Product Description
Catalog Number:
AG003PI7
Chemical Name:
Diethylenetriaminepentaacetic acid α,ω-bis(biocytinamide)
CAS Number:
118896-98-3
IUPAC Name:
2-[[2-[carboxymethyl-[2-[carboxymethyl-[2-[carboxymethyl-[2-[[1-carboxy-5-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]pentyl]amino]-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoic acid
InChI:
InChI=1S/C46H75N11O16S2/c58-34(13-3-1-11-32-41-30(26-74-32)51-45(72)53-41)47-15-7-5-9-28(43(68)69)49-36(60)21-56(24-39(64)65)19-17-55(23-38(62)63)18-20-57(25-40(66)67)22-37(61)50-29(44(70)71)10-6-8-16-48-35(59)14-4-2-12-33-42-31(27-75-33)52-46(73)54-42/h28-33,41-42H,1-27H2,(H,47,58)(H,48,59)(H,49,60)(H,50,61)(H,62,63)(H,64,65)(H,66,67)(H,68,69)(H,70,71)(H2,51,53,72)(H2,52,54,73)
InChI Key:
LKGHKLSIBPOASY-UHFFFAOYSA-N
Properties
Complexity:
1860
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1101.483g/mol
Formal Charge:
0
Heavy Atom Count:
75
Hydrogen Bond Acceptor Count:
21
Hydrogen Bond Donor Count:
13
Isotope Atom Count:
0
Molecular Weight:
1102.287g/mol
Monoisotopic Mass:
1101.483g/mol
Rotatable Bond Count:
40
Topological Polar Surface Area:
446A^2
Undefined Atom Stereocenter Count:
8
Undefined Bond Stereocenter Count:
0
XLogP3:
-7.9
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