Nombre: (S)-3-tert-Butoxycarbonylamino-2-[(4-methyl-2-{2-[1-(tetrahydro-pyran-2-yl)-1H-indazol-4-yl]-acetylamino}-thiazole-5-carbonyl)-amino]-propionic acid methyl ester
SMILES:
COC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1sc(NC(=O)Cc2cccc3c2cnn3C2CCCCO2)nc1CMolecular Processing
Molecular formula
C28H36N6O7S
Molecular weight
600.7
Exact mass
600.2366
XLogP
3.48
TPSA
162.77
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
9
Heavy atoms
42
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
155.26
Supplementary Information
Obteniendo detalles…
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