Xenopus orexin A

Chemical Information
| CAS Number | 254757-77-2 |
| PubChem CID | 172407981 |
| IUPAC Name | (3S)-4-[[(1S,4S,7S,10S,13S,16R,21R,24S,31R)-21-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3R)-1-[[2-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]-7-(4-aminobutyl)-10-(3-amino-3-oxopropyl)-13-(3-carbamimidamidopropyl)-4-[(1R)-1-hydroxyethyl]-24-(hydroxymethyl)-3,6,9,12,15,23,26,32-octaoxo-18,19,28,29-tetrathia-2,5,8,11,14,22,25,33-octazabicyclo[14.10.7]tritriacontan-31-yl]amino]-3-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid |
| Molecular Formula | C139H230N46O42S4 |
| Molecular Weight | 3345.9 |
| XLogP | -15 |
| Topological Polar Surface Area | 1540 |
| Hydrogen Bond Donor Count | 51 |
| Hydrogen Bond Acceptor Count | 52 |
| Rotatable Bond Count | 92 |
| Heavy Atom Count | 231 |
| Formal Charge | 0 |
| Complexity | 7730 |
| Property | Value |
|---|---|
| Molecular Weight | 3345.9 |
| XLogP3 | -15 |
| Hydrogen Bond Donor Count | 51 |
| Hydrogen Bond Acceptor Count | 52 |
| Rotatable Bond Count | 92 |
| Exact Mass | 3344.6192151 |
| Monoisotopic Mass | 3343.6158602 |
| Topological Polar Surface Area | 1540 Ų |
| Heavy Atom Count | 231 |
| Formal Charge | 0 |
| Complexity | 7730 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 34 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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