N#N.NC(=O)[C@]1(C[C@@H](O)[C@@H](N)Cc2ccccc2)CCCN1c1ccccc1
Nom: N2 [3(S)-amino-2(R)-hydroxy-4-phenylbutyl]-N1 -phenyl-L-prolinamide
SMILES: N#N.NC(=O)[C@]1(C[C@@H](O)[C@@H](N)Cc2ccccc2)CCCN1c1ccccc1

Molecular Processing

Molecular formula
C21H27N5O2
Molecular weight
381.48
Exact mass
381.2165
XLogP
1.86
TPSA
140.16
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.381
Molar refractivity
107.14

Supplementary Information

Récupération des détails…

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