tertiary-Butyloxycarbonyl-valyl-prolyl-arginyl-7-amino-4-methylcoumarin

tert-butyl N-[(2S)-1-[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[(4-methyl-2-oxochromen-7-yl)amino]pentanoyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Also Known As: Boc-val-pro-arg-mca|BVPAM|Boc-Val-Pro-Arg-AMC|Thrombin Fluorogenic Substrate|Boc-val-pro-arg-7-amido-4-methylcoumarin|Boc-Val-Pro-Arg-4-methylcoumaryl-7-amide|tertiary-Butyloxycarbonyl-valyl-prolyl-arginyl-7-amino-4-methylcoumarin|L-Argininamide, N-((1,1-dimethylethoxy)carbonyl)-L-valyl-L-prolyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-|n-(tert-butoxycarbonyl)-l-valyl-n-{(2s)-5-[(diaminomethylidene)amino]-2-[(4-methyl-2-oxo-2h-chromen-7-yl)amino]pentanoyl}-l-prolinamide|tert-butyl N-[(2S)-1-[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[(4-methyl-2-oxochromen-7-yl)amino]pentanoyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate|T-BUTYLOXYCARBONYL-L-VALYL-L-PROLYL-L-ARGININE 4-METHYLCOUMARYL-7-AMIDE|N-[tert-Butoxy(hydroxy)methylidene]-L-valyl-N-{(2S)-5-(carbamimidoylamino)-1-hydroxy-2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)amino]pentylidene}-L-prolinamide|N-[tert-Butoxy(hydroxy)methylidene]valyl-N-{5-carbamimidamido-1-hydroxy-2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)amino]pentylidene}prolinamide|tert-butyl N-[(2S)-1-[(2S)-2-{[(2S)-5-carbamimidamido-2-[(4-methyl-2-oxo-2H-chromen-7-yl)amino]pentanamido]carbonyl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Molecular Formula	C31H45N7O7
Molecular Weight	627.3381 g/mol
LogP	2.3
Topological Polar Surface Area	208.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	9
Rotatable Bonds	13
Exact Mass	627.3381
Monoisotopic Mass	627.3381
Heavy Atoms	45
Complexity	1180.0

Chemical Identifiers

CAS Number	6754-35-4
SMILES	CC1=CC(=O)OC2=C1C=CC(=C2)N[C@@H](CCCN=C(N)N)C(=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C
InChIKey	JEOIUGLPMJAHBL-HWBMXIPRSA-N