RVG

Chemical Information
| CAS Number | 115136-25-9 |
| PubChem CID | 171666494 |
| IUPAC Name | (4S)-5-[[(2S)-4-amino-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S,3R)-1-[(2S)-2-[[(2R)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-(carboxymethylamino)-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]amino]-4-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid |
| Molecular Formula | C141H217N43O43S2 |
| Molecular Weight | 3266.6 |
| XLogP | -17.2 |
| Topological Polar Surface Area | 1420 |
| Hydrogen Bond Donor Count | 49 |
| Hydrogen Bond Acceptor Count | 50 |
| Rotatable Bond Count | 102 |
| Heavy Atom Count | 229 |
| Formal Charge | 0 |
| Complexity | 7720 |
| Property | Value |
|---|---|
| Molecular Weight | 3266.6 |
| XLogP3 | -17.2 |
| Hydrogen Bond Donor Count | 49 |
| Hydrogen Bond Acceptor Count | 50 |
| Rotatable Bond Count | 102 |
| Exact Mass | 3265.5590399 |
| Monoisotopic Mass | 3264.5556851 |
| Topological Polar Surface Area | 1420 Ų |
| Heavy Atom Count | 229 |
| Formal Charge | 0 |
| Complexity | 7720 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 31 |
| 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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