AC1LD8LW

[(3R,5S)-5-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-1-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[[6-(methylamino)-6-oxohexanoyl]amino]butanoyl]amino]butanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate

Also Known As: [(3R,5S)-5-[1-[2-(cyclopropylamino)-2-oxo-acetyl]butylcarbamoyl]-1-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[[6-(methylamino)-6-oxo-hexanoyl]amino]butanoyl]amino]butanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate|[(3R,5S)-5-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-1-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[[6-(methylamino)-6-oxohexanoyl]amino]butanoyl]amino]butanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate|L-Prolinamide, N-[6-(methylamino)-1,6-dioxohexyl]-L-valyl-L-valyl-N-[1-[(cyclopropylamino)oxoacetyl]butyl]-4-[[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]oxy]-, (4R)- (9CI)|L-Prolinamide, N-[6-(methylamino)-1,6-dioxohexyl]-L-valyl-L-valyl-N-[1-[2-(cyclopropylamino)-1,2-dioxoethyl]butyl]-4-[[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]oxy]-, (4R)-|L-prolinamide,N-[6-(methylamino)-1,6-dioxohexyl]-L-valyl-L-valyl-N-[1-[2-(cyclopropylamino)-1,2-dioxoethyl]butyl]-4-[[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]oxy]-, (4R)-|N-[6-(Methylamino)-6-oxohexanoyl]-L-valyl-L-valyl-(4R)-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-4-[(3,4-dihydroisoquinoline-2(1H)-carbonyl)oxy]-L-prolinamide

Molecular Formula	C41H61N7O9
Molecular Weight	795.45306 g/mol
LogP	3.1
Topological Polar Surface Area	212.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	9
Rotatable Bonds	20
Exact Mass	795.45306
Monoisotopic Mass	795.45306
Heavy Atoms	57
Complexity	1470.0

Chemical Identifiers

CAS Number	402956-89-2
SMILES	CCCC(C(=O)C(=O)NC1CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CCCCC(=O)NC)OC(=O)N3CCC4=CC=CC=C4C3
InChIKey	SSQCBGWPTAOMIF-MIIJRMAJSA-N