Antipain dihydrochloride
2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-2-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methylbutanoyl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-phenylpropanoic acid;dihydrochloride
Also Known As: Antipain dihydrochloride|2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-2-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methylbutanoyl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-phenylpropanoic acid dihydrochloride|L-Valinamide, N(sup 2)-(((1-carboxy-2-phenylethyl)amino)carbonyl)-L-arginyl-N-(4-((aminoiminomethyl)amino)-1-formylbutyl)-, dihydrochloride|N-(((5-Carbamimidamido-1-((N-(5-carbamimidamido-1-oxopentan-2-yl)valyl)imino)-1-hydroxypentan-2-yl)imino)(hydroxy)methyl)phenylalanine--hydrogen chloride (1/2)|N-[{[(2S)-5-(Carbamimidoylamino)-1-({N-[5-(carbamimidoylamino)-1-oxopentan-2-yl]-L-valyl}imino)-1-hydroxypentan-2-yl]imino}(hydroxy)methyl]phenylalanine--hydrogen chloride (1/2)|N-{[(5-Carbamimidamido-1-{[N-(5-carbamimidamido-1-oxopentan-2-yl)valyl]imino}-1-hydroxypentan-2-yl)imino](hydroxy)methyl}phenylalanine--hydrogen chloride (1/2)
| Molecular Formula | C27H46Cl2N10O6 |
|---|---|
| Molecular Weight | 676.2979 g/mol |
| LogP | -0.8746 |
| Topological Polar Surface Area | 282.5 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 19 |
| Exact Mass | 676.2979 |
| Monoisotopic Mass | 676.2979 |
| Heavy Atoms | 45 |
| Complexity | 1132.3173 |
Chemical Identifiers
| CAS Number | 37682-72-7 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(CCCN=C(N)N)C=O.Cl.Cl |
Product Overview
Antipain dihydrochloride (CAS 37682-72-7), with molecular formula C27H46Cl2N10O6 and molecular weight 676.2979 g/mol. IUPAC: 2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-2-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methylbutanoyl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-phenylpropanoic acid;dihydrochloride.