AG008R5L

107444-51-9 | GLUCAGON-LIKE PEPTIDE I FRAGMENT 7-36 AMIDE HUMAN

AG008R5L

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CAS Number	107444-51-9
Catalog Number	AG008R5L(AGN-PC-0OX8SS)
Chemical Name	GLUCAGON-LIKE PEPTIDE I FRAGMENT 7-36 AMIDE HUMAN
IUPAC Name	(4S)-5-[[2-[[(2S,3R)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[2-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-4-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-4-yl)propanoyl]amino]propanoyl]amino]-5-oxopentanoic acid
InChI	InChI=1S/C149H226N40O45/c1-17-76(10)119(146(232)167-80(14)126(212)175-104(60-86-63-159-91-36-25-24-35-89(86)91)136(222)177-100(56-73(4)5)137(223)186-117(74(6)7)144(230)174-93(37-26-28-52-150)128(214)160-65-110(197)168-92(122(154)208)39-30-54-158-149(155)156)188-138(224)102(57-83-31-20-18-21-32-83)178-133(219)98(47-51-115(204)205)173-132(218)94(38-27-29-53-151)170-124(210)78(12)164-123(209)77(11)166-131(217)97(44-48-109(153)196)169-111(198)66-161-130(216)96(46-50-114(202)203)172-134(220)99(55-72(2)3)176-135(221)101(59-85-40-42-88(195)43-41-85)179-141(227)106(68-190)182-143(229)108(70-192)183-145(231)118(75(8)9)187-140(226)105(62-116(206)207)180-142(228)107(69-191)184-148(234)121(82(16)194)189-139(225)103(58-84-33-22-19-23-34-84)181-147(233)120(81(15)193)185-112(199)67-162-129(215)95(45-49-113(200)201)171-125(211)79(13)165-127(213)90(152)61-87-64-157-71-163-87/h18-25,31-36,40-43,63-64,71-82,90,92-108,117-121,159,190-195H,17,26-30,37-39,44-62,65-70,150-152H2,1-16H3,(H2,153,196)(H2,154,208)(H,157,163)(H,160,214)(H,161,216)(H,162,215)(H,164,209)(H,165,213)(H,166,217)(H,167,232)(H,168,197)(H,169,198)(H,170,210)(H,171,211)(H,172,220)(H,173,218)(H,174,230)(H,175,212)(H,176,221)(H,177,222)(H,178,219)(H,179,227)(H,180,228)(H,181,233)(H,182,229)(H,183,231)(H,184,234)(H,185,199)(H,186,223)(H,187,226)(H,188,224)(H,189,225)(H,200,201)(H,202,203)(H,204,205)(H,206,207)(H4,155,156,158)/t76-,77-,78-,79-,80-,81+,82+,90-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,117-,118-,119-,120-,121-/m0/s1
InChI Key	DTHNMHAUYICORS-KTKZVXAJSA-N
MDL Number	MFCD00133373
Molecular Formula	C149H226N40O45
Molecular Weight	3297.6297
SMILES	N=C(N)NCCC[C@@H](C(N)=O)NC(CNC([C@H](CCCCN)NC([C@H](C(C)C)NC([C@H](CC(C)C)NC([C@@H](NC([C@H](C)NC([C@@]([C@@H](C)CC)([H])NC([C@@H](NC([C@H](CCC(O)=O)NC([C@H](CCCCN)NC([C@H](C)NC([C@H](C)NC([C@H](CCC(N)=O)NC(CNC([C@H](CCC(O)=O)NC([C@H](CC(C)C)NC([C@@H](NC([C@H](CO)NC([C@H](CO)NC([C@H](C(C)C)NC([C@H](CC(O)=O)NC([C@H](CO)NC([C@@]([C@H](O)C)([H])NC([C@@H](NC([C@@]([C@H](O)C)([H])NC(CNC([C@H](CCC(O)=O)NC([C@H](C)NC([C@@H](N)CC1=CNC=N1)=O)=O)=O)=O)=O)CC2=CC=CC=C2)=O)=O)=O)=O)=O)=O)=O)CC3=CC=C(O)C=C3)=O)=O)=O)=O)=O)=O)=O)=O)=O)CC4=CC=CC=C4)=O)=O)=O)CC5=CNC6=C5C=CC=C6)=O)=O)=O)=O)=O
UNII	0JS9125PIZ
Synonyms	GLP-I (7-36), glucagon-like peptide 1 (7-36), glucagon-like peptide I (7-36), proglucagon (78-107), 107444-51-9, UNII-0JS9125PIZ, MKC 253, 0JS9125PIZ, GLP-1(7-36), Insulinotropin (human), Glucagon-like peptide-I(7-36) amide, Rat GLP-I(7-36)amide, Glp-I (7-36), Human GLP-1-(7-36)-amide, Glucagon-like peptide 1 (7-36), Human glucagon-like peptide-1-(7-36) amide, GLP-1(7-36) amide, GLP-1 (7-36) amide, GLP-1-(7-36)-amide, Preproglucagon 78-107 Amide, Glucagon-like peptide 1 (7-36) amide (human, rat), GLP-17-3, AKOS024456935, Glucagon-like Peptide 1 (7-36) amide, Glucagon-like Peptide-1 (7-36) Amide, A16895, Glucagon-Like Peptide I Amide Fragment 7-36 human, Glucagon-Like Peptide I Amide Fragment 7-36 human, >=97% (HPLC), powder, Glucagon-related peptide 1 (Rana catesbeiana), 3-L-glutamic acid-10-L-valine-16-glycine-17-L-glutamine-23-L-isoleucine-24-L-alanine-27-L-valine-30-L-argininamide-31-de-L-proline-32-de-L-lysine-, Proglucagon (78-107), Glucagon-like peptide I (7-36), C149H226N40O45, C149-H226-N40-O45,

Complexity	7660
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	30
Defined Bond Stereocenter Count	0
Exact Mass	3296.666g/mol
Formal Charge	0
Heavy Atom Count	234
Hydrogen Bond Acceptor Count	50
Hydrogen Bond Donor Count	49
Isotope Atom Count	0
Molecular Weight	3297.682g/mol
Monoisotopic Mass	3295.663g/mol
Rotatable Bond Count	109
Topological Polar Surface Area	1390A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-14.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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