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73644-49-2 | (3,5-DIIODO-TYR5)-LHRH
CAS No: 73644-49-2 Catalog No: AG00FB5T MDL No:
Product Description
Catalog Number:
AG00FB5T
Chemical Name:
(3,5-DIIODO-TYR5)-LHRH
CAS Number:
73644-49-2
IUPAC Name:
(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxy-3,5-diiodophenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
InChI:
InChI=1S/C55H73I2N17O13/c1-27(2)15-37(49(82)69-36(9-5-13-62-55(59)60)54(87)74-14-6-10-42(74)53(86)64-23-43(58)76)68-45(78)24-65-47(80)38(18-28-16-32(56)46(79)33(57)17-28)70-52(85)41(25-75)73-50(83)39(19-29-21-63-34-8-4-3-7-31(29)34)71-51(84)40(20-30-22-61-26-66-30)72-48(81)35-11-12-44(77)67-35/h3-4,7-8,16-17,21-22,26-27,35-42,63,75,79H,5-6,9-15,18-20,23-25H2,1-2H3,(H2,58,76)(H,61,66)(H,64,86)(H,65,80)(H,67,77)(H,68,78)(H,69,82)(H,70,85)(H,71,84)(H,72,81)(H,73,83)(H4,59,60,62)/t35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
InChI Key:
HRUDYPFKFIMXLJ-BXXNOCLASA-N
Properties
Complexity:
2470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
1433.366g/mol
Formal Charge:
0
Heavy Atom Count:
87
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
16
Isotope Atom Count:
0
Molecular Weight:
1434.104g/mol
Monoisotopic Mass:
1433.366g/mol
Rotatable Bond Count:
31
Topological Polar Surface Area:
475A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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