CC(C(=O)N1CCCC1C(=O)O)NC(=O)OC(C)(C)C.CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(=O)CC4
Название: (4R,4aR,7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylic acid
SMILES: CC(C(=O)N1CCCC1C(=O)O)NC(=O)OC(C)(C)C.CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(=O)CC4

Molecular Processing

Molecular formula
C31H43N3O8
Molecular weight
585.7
Exact mass
585.305
XLogP
2.91
TPSA
134.71
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
42
Rings
6
Aromatic rings
1
Saturated rings
3
Aliphatic rings
5
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.677
Molar refractivity
152.76

Supplementary Information

InChIKey: COGWRDIGESNWST-LUYONNNPSA-N
Синонимы
Boc-Ala-Pro HydrocodoneCOGWRDIGESNWST-LUYONNNPSA-N
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