Name: N-[[1-(2-aminoethyl)cyclopentyl]carbonyl]-4-[[(2,6-dichlorophenyl)carbonyl]amino]-L-phenylalanine
SMILES:
NCCC1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)O)CCCC1Molecular Processing
Molecular formula
C24H27Cl2N3O4
Molecular weight
492.4
Exact mass
491.1379
XLogP
4.27
TPSA
121.52
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
128.7
Supplementary Information
Details werden geladen…
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