CC(C)(C)OC(=O)NC(CC1=CN(N=N1)CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3
Nombre: benzyl (2S)-3-(1-benzyltriazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILES: CC(C)(C)OC(=O)NC(CC1=CN(N=N1)CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Molecular Processing

Molecular formula
C24H28N4O4
Molecular weight
436.51
Exact mass
436.2111
XLogP
3.51
TPSA
95.34
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
32
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
118.67

Supplementary Information

InChIKey: JJLMKMCMMXKAMB-NRFANRHFSA-N
Sinónimos
SCHEMBL756405JJLMKMCMMXKAMB-NRFANRHFSA-N(S)-benzyl 3-(1-benzyl-1H-1,2,3-triazol -4-yl)-2-(tert-butoxycarbonylamino)propanoate(S)-benzyl 3-(1-benzyl-1H-1,2,3-triazol-4-yl)-2-(tert-butoxycarbonylamino)propanoate
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