Nombre: Nα -[(S)-2-azetidinone-4-carbonyl]-L-histidyl-L-proline benzyl ester
SMILES:
O=C1C[C@@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(=O)OCc2ccccc2)N1Molecular Processing
Molecular formula
C22H25N5O5
Molecular weight
439.47
Exact mass
439.1856
XLogP
0.06
TPSA
133.49
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
111.74
Supplementary Information
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