L 363564

tert-butyl N-[1-[2-[[1-[[1-[[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate

Also Known As: Boc-his-pro-phe-his-statine-leu-phe-NH2|L 363564|L-363,564|tert-butyl N-[1-[2-[[1-[[1-[[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate|L-Phenylalaninamide, N-(4-((N-(N-(1-N-((1,1-dimethylethoxy)carbonyl)-L-histidyl)-L-prolyl)-L-phenylalanyl)-L-histidyl)amino)-3-hydroxy-6-methyl-1-oxoheptyl)-L-leucyl-, (S-(R*,R*))-|tert-butyl (1-(2-((13-((1H-imidazol-5-yl)methyl)-1-amino-2-benzyl-9-hydroxy-5,10-diisobutyl-1,4,7,12,15-pentaoxo-17-phenyl-3,6,11,14-tetraazaheptadecan-16-yl)carbamoyl)pyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl)carbamate

Molecular Formula	C54H76N12O10
Molecular Weight	1052.5807 g/mol
LogP	2.0402
Topological Polar Surface Area	324.82 Ų
Hydrogen Bond Donors	10
Hydrogen Bond Acceptors	12
Rotatable Bonds	27
Exact Mass	1052.5807
Monoisotopic Mass	1052.5807
Heavy Atoms	76
Complexity	2519.2751

Chemical Identifiers

CAS Number	86153-46-0
SMILES	CC(C)CC(C(CC(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N)O)NC(=O)C(CC2=CN=CN2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4CCCN4C(=O)C(CC5=CN=CN5)NC(=O)OC(C)(C)C