7-(N-Benzyloxycarbonyl-beta-benzylaspartyl-prolyl-leucyl)amino-4-methylcoumarin

benzyl (3S)-4-[(2S)-2-[[(2R)-3-methyl-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate

Also Known As: 7-Z-B-Asp-pro-leu-ME|7-(N-Benzyloxycarbonyl-beta-benzylaspartyl-prolyl-leucyl)amino-4-methylcoumarin|benzyl(3s)-3-{[(benzyloxy)carbonyl]amino}-4-[(2s)-2-({(2r)-3-methyl-1-[(4-methyl-2-oxo-2h-chromen-7-yl)amino]-1-oxopentan-2-yl}carbamoyl)pyrrolidin-1-yl]-4-oxobutanoate(non-preferred name)|benzyl (3S)-4-[(2S)-2-[[(2R)-3-methyl-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate|L-Leucinamide, N-((phenylmethoxy)carbonyl)-L-alpha-aspartyl-L-prolyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, phenylmethyl ester

Molecular Formula	C40H44N4O9
Molecular Weight	724.31085 g/mol
LogP	4.7
Topological Polar Surface Area	169.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	9
Rotatable Bonds	16
Exact Mass	724.31085
Monoisotopic Mass	724.31085
Heavy Atoms	53
Complexity	1340.0

Chemical Identifiers

CAS Number	5435-07-4
SMILES	CCC(C)[C@H](C(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)OCC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5
InChIKey	PWEAQFUWRQWRMO-GJPDKWCJSA-N