名称: (S)-3-(4′-chloro-biphenyl-4-yl)-2-{[(3R,7S)-3-[4-(3,4-dichloro-benzyloxy)-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(OCc2ccc(Cl)c(Cl)c2)cc1)O3Molecular Processing
Molecular formula
C51H46Cl3N3O6
Molecular weight
903.3
Exact mass
901.2452
XLogP
10.77
TPSA
97.41
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
13
Heavy atoms
63
Rings
8
Aromatic rings
6
Saturated rings
0
Aliphatic rings
2
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
247.5
Supplementary Information
詳細情報を取得中…
7 件の反応に参加→