名称: (S)-3-(4′-chloro, -biphenyl-4-yl)-2-{[(3R,7S)-3-(4-hydroxy-phenyl)-1-methyl-2-oxo-6-((S)-1-phenyl-propyl)-2,3,5,6,7,8-hexahydro-1H-4-oxa-1,6-diaza-anthracene-7-carbonyl]-amino}-propionic acid methyl ester
SMILES:
CC[C@@H](c1ccccc1)N1Cc2cc3c(cc2C[C@H]1C(=O)N[C@@H](Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)OC)N(C)C(=O)[C@@H](c1ccc(O)cc1)O3Molecular Processing
Molecular formula
C44H42ClN3O6
Molecular weight
744.29
Exact mass
743.2762
XLogP
7.59
TPSA
108.41
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
54
Rings
7
Aromatic rings
5
Saturated rings
0
Aliphatic rings
2
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
208.38
Supplementary Information
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