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101817-45-2 | Glycinamide, N-[4-(9-acridinylamino)-1-oxobutyl]-L-tyrosyl-L-lysyl-L-lysyl-N-[3-(9-acridinylamino)propyl]-, tetraformate (salt) (9CI)
CAS No: 101817-45-2 Catalog No: AG0005N0 MDL No:
Product Description
Catalog Number:
AG0005N0
Chemical Name:
Glycinamide, N-[4-(9-acridinylamino)-1-oxobutyl]-L-tyrosyl-L-lysyl-L-lysyl-N-[3-(9-acridinylamino)propyl]-, tetraformate (salt) (9CI)
CAS Number:
101817-45-2
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[acridin-9-yl(4-aminobutanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-N-[2-[3-(acridin-9-ylamino)propylamino]-2-oxoethyl]-6-aminohexanamide
InChI:
InChI=1S/C56H67N11O6/c57-30-11-9-23-47(54(71)62-36-50(69)60-33-14-34-61-52-39-15-1-5-19-43(39)63-44-20-6-2-16-40(44)52)65-55(72)48(24-10-12-31-58)66-56(73)49(35-37-26-28-38(68)29-27-37)67(51(70)25-13-32-59)53-41-17-3-7-21-45(41)64-46-22-8-4-18-42(46)53/h1-8,15-22,26-29,47-49,68H,9-14,23-25,30-36,57-59H2,(H,60,69)(H,61,63)(H,62,71)(H,65,72)(H,66,73)/t47-,48-,49-/m0/s1
InChI Key:
MZUPGLODZCDWSR-HYGNTPKVSA-N
Properties
Complexity:
1680
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
989.528g/mol
Formal Charge:
0
Heavy Atom Count:
73
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
9
Isotope Atom Count:
0
Molecular Weight:
990.223g/mol
Monoisotopic Mass:
989.528g/mol
Rotatable Bond Count:
27
Topological Polar Surface Area:
273A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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