名称: (2R)-2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(1H-indol-3-yl)-2-methylpropanamide
SMILES:
C[C@@](N)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1Molecular Processing
Molecular formula
C21H25N3O2
Molecular weight
351.45
Exact mass
351.1947
XLogP
2.15
TPSA
91.14
H-bond donors
4
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
103.76
Supplementary Information
InChIKey: XINQJNJAAVKYNC-LAUBAEHRSA-N
同義語
SCHEMBL8829880XINQJNJAAVKYNC-LAUBAEHRSA-Nalpha-methyl-D-tryptophyl-L-phenylalaninol
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