이름: (S)-4-methyl-2-[2-oxo-4-(5,6,7,8-tetrahydro-naphthalen-1-yloxy)-2,5-dihydro-pyrrol-1-yl]-pentanoic acid [1-((R)-2,2-dimethyl-[1,3]dioxolan-4-yl-methyl)-1H-pyrazol-3-yl]-amide
SMILES:
CC(C)C[C@@H](C(=O)Nc1ccn(C[C@@H]2COC(C)(C)O2)n1)N1CC(Oc2cccc3c2CCCC3)=CC1=OMolecular Processing
Molecular formula
C29H38N4O5
Molecular weight
522.65
Exact mass
522.2842
XLogP
4.07
TPSA
94.92
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
38
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.552
Molar refractivity
142.51
Supplementary Information
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