Papiliochrome II
4-[2-[[2-(3-aminopropanoylamino)-1-(3,4,5-trihydroxyphenyl)ethyl]amino]phenyl]-2-iminobutanoic acid
Also Known As: Papiliochrome II|KST-1A8275|17.beta.-Hydroxy-4-methyl-androst-4-en-3-one|(2z)-4-(2-{[2-(|A-alanylamino)-1-(3,4,5-trihydroxyphenyl)ethyl]amino}phenyl)-2-iminobutanoic acid|4-[2-[[2-(3-aminopropanoylamino)-1-(3,4,5-trihydroxyphenyl)ethyl]amino]phenyl]-2-iminobutanoic acid|N(ar)-(alpha-(3-Aminopropionylaminomethyl)-3,4-dihydroxybenzyl)-L-kynurenine|Benzenebutanoic acid, alpha-amino-2-((2-((3-amino-1-oxopropyl)amino)-1-(3,4-dihydroxyphenyl)ethyl)amino)-gamma-oxo-, stereoisomer
| Molecular Formula | C21H26N4O6 |
|---|---|
| Molecular Weight | 430.18524 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 430.18524 |
| Monoisotopic Mass | 430.18524 |
| Heavy Atoms | 31 |
| Complexity | 607.0 |
Chemical Identifiers
| CAS Number | 795-83-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CCC(=N)C(=O)O)NC(CNC(=O)CCN)C2=CC(=C(C(=C2)O)O)O |
| InChIKey | RAHPRVPDZOYRGZ-UHFFFAOYSA-N |
Product Overview
Papiliochrome II (CAS 795-83-5), with molecular formula C21H26N4O6 and molecular weight 430.18524 g/mol. IUPAC: 4-[2-[[2-(3-aminopropanoylamino)-1-(3,4,5-trihydroxyphenyl)ethyl]amino]phenyl]-2-iminobutanoic acid.