| CAS Number | 19405-50-6 |
| Catalog Number | AG00AP81(AGN-PC-0O6F50) |
| Chemical Name | ACTH (1-4) |
| IUPAC Name | (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoic acid |
| InChI | InChI=1S/C20H30N4O8S/c1-33-7-6-14(20(31)32)22-19(30)16(10-26)24-18(29)15(23-17(28)13(21)9-25)8-11-2-4-12(27)5-3-11/h2-5,13-16,25-27H,6-10,21H2,1H3,(H,22,30)(H,23,28)(H,24,29)(H,31,32)/t13-,14-,15-,16-/m0/s1 |
| InChI Key | GTYVWTFUSMUWHM-VGWMRTNUSA-N |
| MDL Number | MFCD00076160 |
| Molecular Formula | C20H30N4O8S |
| Molecular Weight | 486.5392 |
| SMILES | CSCC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@H](CO)N)CO |
| Synonyms | (1-4) corticotropin,
ACTH (1-4),
ACTH(1-4),
Acth (1-4),
19405-50-6,
H-Ser-Tyr-Ser-Met-OH,
Adrenocorticotropic Hormone (1-4),
MFCD00076160,
ZINC15721309,
C-54689,
(S)-2-((S)-2-((S)-2-((S)-2-amino-3-hydroxypropanamido)-3-(4-hydroxyphenyl)propanamido)-3-hydroxypropanamido)-4-(methylthio)butanoic acid,
Acth(1-4),
CID10390695,
CID 10390695,
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| Complexity | 660 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 486.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 8 |
| Isotope Atom Count | 0 |
| Molecular Weight | 486.54g/mol |
| Monoisotopic Mass | 486.178g/mol |
| Rotatable Bond Count | 14 |
| Topological Polar Surface Area | 237A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -4.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number