SMILES:
CC(C)(C)C(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(C(=O)[O-])c2)CN(C2CCCCC2)c2ccccc21.CC(C)(C)C(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(C(=O)[O-])c2)CN(C2CCCCC2)c2ccccc21.[Ca+2]Molecular Processing
Molecular formula
C58H70CaN8O10
Molecular weight
1079.32
Exact mass
1078.4841
XLogP
6.3
TPSA
243.76
H-bond donors
4
H-bond acceptors
12
Rotatable bonds
12
Heavy atoms
77
Rings
8
Aromatic rings
4
Saturated rings
2
Aliphatic rings
4
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
19
Covalent units
3
Fraction Csp3
0.448
Molar refractivity
294.14
Supplementary Information
Obteniendo detalles…
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