Factor xiia substrate dihydrochloride

4-[[1-[[1-[2-[[1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

Also Known As: Suc-aapf-amc|MeOSuc-AAPM-AMC|Suc-Ala-Ala-Pro-Phe-Amc|Suc-Ala-Ala-Pro-Phe-MCA|MeOSuc-Ala-Ala-Pro-Met-AMC|AMC085|FACTOR XIIA SUBSTRATE DIHYDROCHLORIDE|MAA-3114-V|N-Succinyl-Ala-Ala-Pro-Phe-7-amido-4-methylcoumarin|MeOSuc-Ala-Ala-Pro-Met-7-Amino-4-Methylcoumarin|N-Succinyl-Ala-Ala-Pro-Phe-7-amido-4-methylcoumarin, Leucine aminopeptidase substrate|Succinyl-L-Alanyl-L-Alanyl-L-Prolyl-L-Phenylalanine 4-Methyl-Coumaryl-7-Amide|4-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid|4-[[1-[[1-[2-[[1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid|4-[[2-[[2-[2-[[1-benzyl-2-[(4-methyl-2-oxo-chromen-7-yl)amino]-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-4-oxo-butanoic acid

Molecular Formula	C34H39N5O9
Molecular Weight	661.2748 g/mol
LogP	1.63262
Topological Polar Surface Area	204.22 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	8
Rotatable Bonds	13
Exact Mass	661.2748
Monoisotopic Mass	661.2748
Heavy Atoms	48
Complexity	1756.6489

Chemical Identifiers

CAS Number	88467-45-2
SMILES	CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4CCCN4C(=O)C(C)NC(=O)C(C)NC(=O)CCC(=O)O