Nombre: benzyl N-[(2S,3S)-1-(3,3-diethoxypropylamino)-3-hydroxy-1-oxobutan-2-yl]carbamate
SMILES:
CCOC(CCNC(=O)C(C(C)O)NC(=O)OCC1=CC=CC=C1)OCCMolecular Processing
Molecular formula
C19H30N2O6
Molecular weight
382.46
Exact mass
382.2104
XLogP
1.57
TPSA
106.12
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
12
Heavy atoms
27
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.579
Molar refractivity
99.9
Supplementary Information
InChIKey: UZHNJDFZLSEVTD-YOEHRIQHSA-N
Sinónimos
SCHEMBL6358711UZHNJDFZLSEVTD-YOEHRIQHSA-N[(1S,2S)-1-(3,3-diethoxy-propylcarbamoyl)-2-hydroxy-propyl]-carbamic acid benzyl ester
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