이름: (S)-2-[4-(benzooxazol-4-yloxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-4-methyl-pentanoic acid methyl ester
SMILES:
CC(C)C[C@@H](C(=O)Nc1ccn(CC(C)(C)O)n1)N1CC(Oc2cccc(O)c2N)=CC1=OMolecular Processing
Molecular formula
C23H31N5O5
Molecular weight
457.53
Exact mass
457.2325
XLogP
2.1
TPSA
142.94
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
123.34
Supplementary Information
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