이름: ethyl 4-hydroxy-1-[6-(phenylmethoxycarbonylamino)hexanoyl]pyrrolidine-3-carboxylate
SMILES:
CCOC(=O)C1CN(C(=O)CCCCCNC(=O)OCc2ccccc2)CC1OMolecular Processing
Molecular formula
C21H30N2O6
Molecular weight
406.48
Exact mass
406.2104
XLogP
1.86
TPSA
105.17
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
29
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
105.81
Supplementary Information
InChIKey: CFADSIFRLROGKO-UHFFFAOYSA-N
동의어
SCHEMBL3425321CFADSIFRLROGKO-UHFFFAOYSA-N1-(6-Benzyloxycarbonylamino-hexanoyl)-4-hydroxy-pyrrolidine-3-carboxylic Acid Ethyl Ester
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