Name: (S)-2-{[(3S,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}-3-(4′-methoxy-biphenyl-4-yl)-propionic acid methyl ester
SMILES:
CC[C@@H](c1ccccc1)N1Cc2cc3c(cc2C[C@H]1C(=O)N[C@@H](Cc1ccc(-c2ccc(OC)cc2)cc1)C(=O)OC)N(C)C(=O)[C@H](c1ccc(O)cc1)O3Molecular Processing
Molecular formula
C45H45N3O7
Molecular weight
739.87
Exact mass
739.3258
XLogP
6.94
TPSA
117.64
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
11
Heavy atoms
55
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
0.267
Molar refractivity
209.92
Supplementary Information
Details werden geladen…
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