COc1ccc(Cn2nc(NC(=O)c3cc(NC(=O)c4cc([N+](=O)[O-])nn4Cc4ccc(OC)cc4)nn3Cc3ccc(OC)cc3)cc2C(=O)NN[C@@H](CCCC(N)C(=O)OC(C)(C)C)C(=O)O)cc1
SMILES: COc1ccc(Cn2nc(NC(=O)c3cc(NC(=O)c4cc([N+](=O)[O-])nn4Cc4ccc(OC)cc4)nn3Cc3ccc(OC)cc3)cc2C(=O)NN[C@@H](CCCC(N)C(=O)OC(C)(C)C)C(=O)O)cc1

Molecular Processing

Molecular formula
C47H54N12O12
Molecular weight
979.02
Exact mass
978.3984
XLogP
4.39
TPSA
313.24
H-bond donors
6
H-bond acceptors
16
Rotatable bonds
23
Heavy atoms
71
Rings
6
Aromatic rings
6
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
24
Covalent units
1
Fraction Csp3
0.319
Molar refractivity
255.23

Supplementary Information

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