Nombre: ethyl β-[[2(R)-[[[[4-(aminoiminomethyl)phenyl]amino]carbonyl]amino]methylpropanoyl]amino]-1,3-benzodioxole-5-propanoate
SMILES:
CCOC(=O)CC(NC(=O)[C@H](C)CNC(=O)Nc1ccc(C=NN)cc1)c1ccc2c(c1)OCO2Molecular Processing
Molecular formula
C24H29N5O6
Molecular weight
483.53
Exact mass
483.2118
XLogP
2.28
TPSA
153.37
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
35
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
129.11
Supplementary Information
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