CCOC(=O)CC[C@H](NC(=O)c1ccc(C#Cc2c[nH]c3nc(NC(=O)C(C)(C)C)nc(O)c23)cc1)C(=O)OCC
SMILES: CCOC(=O)CC[C@H](NC(=O)c1ccc(C#Cc2c[nH]c3nc(NC(=O)C(C)(C)C)nc(O)c23)cc1)C(=O)OCC

Molecular Processing

Molecular formula
C29H33N5O7
Molecular weight
563.61
Exact mass
563.238
XLogP
3.05
TPSA
172.6
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
41
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.379
Molar refractivity
149.81

Supplementary Information

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