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AG01ENG3

Name: ACTH (1-16) (human)
Brand: Angene Chemical
SKU: AG01ENG3

5576-42-1 | ACTH (1-16) (human)

Chemical structure of ACTH (1-16) (human), CAS 5576-42-1

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CAS Number	5576-42-1
Catalog Number	AG01ENG3(AGN-PC-0SJJ2Q)
Chemical Name	ACTH (1-16) (human)
IUPAC Name	6-amino-2-[[6-amino-2-[[2-[[2-[[1-[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]acetyl]amino]hexanoyl]amino]hexanoic acid
InChI	InChI=1S/C89H133N25O22S/c1-50(2)74(86(133)100-46-71(118)102-59(21-9-12-33-90)77(124)107-64(88(135)136)23-11-14-35-92)113-85(132)70-25-16-37-114(70)87(134)63(22-10-13-34-91)103-72(119)45-99-76(123)67(41-53-43-98-58-20-8-7-19-56(53)58)110-78(125)60(24-15-36-97-89(94)95)104-81(128)66(39-51-17-5-4-6-18-51)109-83(130)68(42-54-44-96-49-101-54)111-79(126)61(30-31-73(120)121)105-80(127)62(32-38-137-3)106-84(131)69(48-116)112-82(129)65(108-75(122)57(93)47-115)40-52-26-28-55(117)29-27-52/h4-8,17-20,26-29,43-44,49-50,57,59-70,74,98,115-117H,9-16,21-25,30-42,45-48,90-93H2,1-3H3,(H,96,101)(H,99,123)(H,100,133)(H,102,118)(H,103,119)(H,104,128)(H,105,127)(H,106,131)(H,107,124)(H,108,122)(H,109,130)(H,110,125)(H,111,126)(H,112,129)(H,113,132)(H,120,121)(H,135,136)(H4,94,95,97)
InChI Key	BLBPSTKPAGOHPL-UHFFFAOYSA-N
Molecular Formula	C89H133N25O22S
Molecular Weight	1937.2276
SMILES	NCCCCC(C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)O)CCCCN)CCCCN)C(C)C)NC(=O)CNC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CO)N)Cc1ccc(cc1)O)CO)CCSC)CCC(=O)O)Cc1[nH]cnc1)Cc1ccccc1)CCCNC(=N)N
Synonyms	ACTH (1-16), ACTH(1-16), 5576-42-1, ACTH (1-16) (human), Adrenocorticotropic Hormone Fragment 1-16 human, rat, Acth(1-16), Acth (1-16), C89H133N25O22S, C89-H133-N25-O22-S,

Complexity	3930
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	1935.978g/mol
Formal Charge	0
Heavy Atom Count	137
Hydrogen Bond Acceptor Count	29
Hydrogen Bond Donor Count	28
Isotope Atom Count	0
Molecular Weight	1937.256g/mol
Monoisotopic Mass	1935.978g/mol
Rotatable Bond Count	64
Topological Polar Surface Area	799A^2
Undefined Atom Stereocenter Count	14
Undefined Bond Stereocenter Count	0
XLogP3	-7.8

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited