Home Other Building Blocks 1-9-Luteinizing hormone-releasing factor (swine),6-D-tryptophan-9-(N-ethyl-L-prolinamide)-

1-9-Luteinizing hormone-releasing factor (swine),6-D-tryptophan-9-(N-ethyl-L-prolinamide)-

CAS No.:
57773-65-6
Catalog Number:
AG019FVI
Molecular Formula:
C64H83N17O12
Molecular Weight:
1282.4505
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Purity
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Product Description
Catalog Number:
AG019FVI
Chemical Name:
1-9-Luteinizing hormone-releasing factor (swine),6-D-tryptophan-9-(N-ethyl-L-prolinamide)-
CAS Number:
57773-65-6
Molecular Formula:
C64H83N17O12
Molecular Weight:
1282.4505
MDL Number:
MFCD00167401
IUPAC Name:
(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-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/C64H83N17O12/c1-4-68-62(92)53-16-10-24-81(53)63(93)46(15-9-23-69-64(65)66)74-56(86)47(25-35(2)3)75-58(88)49(27-37-30-70-43-13-7-5-11-41(37)43)77-57(87)48(26-36-17-19-40(83)20-18-36)76-61(91)52(33-82)80-59(89)50(28-38-31-71-44-14-8-6-12-42(38)44)78-60(90)51(29-39-32-67-34-72-39)79-55(85)45-21-22-54(84)73-45/h5-8,11-14,17-20,30-32,34-35,45-53,70-71,82-83H,4,9-10,15-16,21-29,33H2,1-3H3,(H,67,72)(H,68,92)(H,73,84)(H,74,86)(H,75,88)(H,76,91)(H,77,87)(H,78,90)(H,79,85)(H,80,89)(H4,65,66,69)/t45-,46-,47-,48-,49+,50-,51-,52-,53-/m0/s1
InChI Key:
GJKXGJCSJWBJEZ-XRSSZCMZSA-N
SMILES:
CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)CO)CC(C)C)CCCNC(=N)N
UNII:
TKG3I66TVE
Properties
Complexity:
2610  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
9  
Defined Bond Stereocenter Count:
0
Exact Mass:
1281.641g/mol
Formal Charge:
0
Heavy Atom Count:
93  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
16  
Isotope Atom Count:
0
Molecular Weight:
1282.475g/mol
Monoisotopic Mass:
1281.641g/mol
Rotatable Bond Count:
32  
Topological Polar Surface Area:
447A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
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Properties