Name: phenylmethyl 2-[(2R)-3-cyclopentyl-2-({formyl[(phenylmethyl)oxy]amino}methyl)propanoyl]-3-{[(5-fluoro-1-oxido-2-pyridinyl)amino]carbonyl}-1-pyrazolidinecarboxylate
SMILES:
O=CN(C[C@@H](CC1CCCC1)C(=O)N1C(C(=O)Nc2ccc(F)c[n+]2[O-])CCN1C(=O)OCc1ccccc1)OCc1ccccc1Molecular Processing
Molecular formula
C34H38FN5O7
Molecular weight
647.7
Exact mass
647.2755
XLogP
4.34
TPSA
135.43
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
13
Heavy atoms
47
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.382
Molar refractivity
166.64
Supplementary Information
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