CC(C)OC(=O)N1CC2=CC(=C(C=C2CC1C(=O)OC)N)O
الاسم: 3-O-methyl 2-O-propan-2-yl (3S)-6-amino-7-hydroxy-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate
SMILES: CC(C)OC(=O)N1CC2=CC(=C(C=C2CC1C(=O)OC)N)O

Molecular 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
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
79.19

Supplementary Information

InChIKey: JZYYDSXUCPMSDQ-LBPRGKRZSA-N
مرادفات
SCHEMBL1152110JZYYDSXUCPMSDQ-LBPRGKRZSA-N(S)-6-amino-7-hydroxy-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid 2-isopropyl ester 3-methyl ester
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