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125009-85-0 | L-Phenylalaninamide, 3-(iodo-125I)-L-tyrosyl-L-leucyl-L-phenylalanyl-L-glutaminyl-L-prolyl-L-glutaminyl-L-arginyl- (9CI)
CAS No: 125009-85-0 Catalog No: AG000MZS MDL No:
Product Description
Catalog Number:
AG000MZS
Chemical Name:
L-Phenylalaninamide, 3-(iodo-125I)-L-tyrosyl-L-leucyl-L-phenylalanyl-L-glutaminyl-L-prolyl-L-glutaminyl-L-arginyl- (9CI)
CAS Number:
125009-85-0
IUPAC Name:
(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxy-3-(125I)iodanylphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanediamide
InChI:
InChI=1S/C54H75IN14O11/c1-30(2)25-40(67-47(74)35(56)27-33-17-20-43(70)34(55)26-33)50(77)68-41(29-32-13-7-4-8-14-32)51(78)65-38(19-22-45(58)72)53(80)69-24-10-16-42(69)52(79)64-37(18-21-44(57)71)49(76)63-36(15-9-23-62-54(60)61)48(75)66-39(46(59)73)28-31-11-5-3-6-12-31/h3-8,11-14,17,20,26,30,35-42,70H,9-10,15-16,18-19,21-25,27-29,56H2,1-2H3,(H2,57,71)(H2,58,72)(H2,59,73)(H,63,76)(H,64,79)(H,65,78)(H,66,75)(H,67,74)(H,68,77)(H4,60,61,62)/t35-,36-,37-,38-,39-,40-,41-,42-/m0/s1/i55-2
InChI Key:
OPGLGLVGCCZCIO-IVVUTVNBSA-N
Properties
Complexity:
2140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
1220.479g/mol
Formal Charge:
0
Heavy Atom Count:
80
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
13
Isotope Atom Count:
1
Molecular Weight:
1221.186g/mol
Monoisotopic Mass:
1220.479g/mol
Rotatable Bond Count:
32
Topological Polar Surface Area:
435A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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