Name: (S)-6-amino-7-hydroxy-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid 2-isopropyl ester 3-methyl ester
SMILES:
COC(=O)[C@@H]1Cc2cc(N)c(O)cc2CN1C(=O)OC(C)CMolecular Processing
Molecular formula
C15H20N2O5
Molecular weight
308.33
Exact mass
308.1372
XLogP
1.42
TPSA
102.09
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
79.19
Supplementary Information
Details werden geladen…
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