이름: tert-butyl (5R,12S)-12-[(R)-[(3R,4R,5R)-3,4-bis{[tert-butyl(dimethyl)silyl]oxy}-5-(3-(4-methoxybenzyl)-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl](hydroxy)methyl]-5-isobutyl-3,6-dioxo-1-phenyl-2-oxa-4,7,11-triazatridecan-13-oate
SMILES:
COc1ccc(Cn2c(=O)ccn([C@@H]3OC([C@H](O)[C@H](NCCCNC(=O)[C@@H](CC(C)C)NC(=O)OCc4ccccc4)C(=O)OC(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)c2=O)cc1Molecular Processing
Molecular formula
C52H83N5O12Si2
Molecular weight
1026.43
Exact mass
1025.5577
XLogP
7.25
TPSA
206.91
H-bond donors
4
H-bond acceptors
13
Rotatable bonds
22
Heavy atoms
71
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
7
Undefined stereo
1
Formal charge
0
Heteroatoms
19
Covalent units
1
Fraction Csp3
0.635
Molar refractivity
279.38
Supplementary Information
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