Nombre: benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoate
SMILES:
CC(C)(C)OC(=O)NC(CC#C)C(=O)OCC1=CC=CC=C1Molecular Processing
Molecular formula
C17H21NO4
Molecular weight
303.36
Exact mass
303.1471
XLogP
2.65
TPSA
64.63
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
22
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
82.85
Supplementary Information
InChIKey: LPMRQYDPUQDFPS-AWEZNQCLSA-N
Sinónimos
SCHEMBL755897LPMRQYDPUQDFPS-AWEZNQCLSA-N(S)-benzyl 2-(tert-butoxycarbonylamino)pent-4-ynoate
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