SMILES:
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@@H](NCCc3c[nH]cn3)[C@@]2(O)C1Molecular Processing
Molecular formula
C34H57N3O3
Molecular weight
555.85
Exact mass
555.44
XLogP
6.69
TPSA
87.24
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
40
Rings
5
Aromatic rings
1
Saturated rings
4
Aliphatic rings
4
Stereo centers
10
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.882
Molar refractivity
159.55
Supplementary Information
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