이름: N2 [3(S)-(benzyloxyformamido)-2(R)-hydroxy-4-phenylbutyl]-N1 -Phenyl-L-prolinamide
SMILES:
N#N.NC(=O)[C@]1(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CCCN1c1ccccc1Molecular Processing
Molecular formula
C29H33N5O4
Molecular weight
515.61
Exact mass
515.2533
XLogP
3.83
TPSA
152.47
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
38
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.31
Molar refractivity
142.72
Supplementary Information
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