CC(CO)C(C(=O)OCC1=CC=CC=C1)NC2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=CC=C5
Название: benzyl (2S,3S)-4-hydroxy-3-methyl-2-[(9-phenylfluoren-9-yl)amino]butanoate
SMILES: CC(CO)C(C(=O)OCC1=CC=CC=C1)NC2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=CC=C5

Molecular Processing

Molecular formula
C31H29NO3
Molecular weight
463.58
Exact mass
463.2147
XLogP
5.29
TPSA
58.56
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
35
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.194
Molar refractivity
137.61

Supplementary Information

InChIKey: YMXYKUNTQVTWSH-MNNSJKJDSA-N
Синонимы
SCHEMBL1830091YMXYKUNTQVTWSH-MNNSJKJDSA-N(2 S,3 S)-benzyl 4-hydroxy-3-methyl-2-(9-phenyl-9H-fluoren-9-ylamino)butanoate(2S,3 S)-benzyl 4-hydroxy-3-methyl-2-(9-phenyl-9H-fluoren-9-ylamino)butanoate(2S,3S)-benzyl 4-hydroxy-3-methyl-2-(9-phenyl-9H-fluoren-9-ylamino)-butanoate(2S,3S)-benzyl 4-hydroxy-3-methyl-2-(9-phenyl-9H-fluoren-9-ylamino)butanoate(2S,3S)-benzyl-4-hydroxy-3-methyl-2-(9-phenyl-9H-fluoren-9-ylamino)butanoate
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