CC(C(C(=O)NCCCNC(C(C1C(C(C(O1)N2C=CC(=O)N(C2=O)CC3=CC=C(C=C3)OC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O)C(=O)OC(C)(C)C)NC(=O)OCC4=CC=CC=C4)O
الاسم: tert-butyl (2S,3R)-3-[(3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]-3-hydroxy-2-[3-[[(2S,3S)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]propylamino]propanoate
SMILES: CC(C(C(=O)NCCCNC(C(C1C(C(C(O1)N2C=CC(=O)N(C2=O)CC3=CC=C(C=C3)OC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O)C(=O)OC(C)(C)C)NC(=O)OCC4=CC=CC=C4)O

Molecular Processing

Molecular formula
C50H79N5O13Si2
Molecular weight
1014.38
Exact mass
1013.5213
XLogP
5.59
TPSA
227.14
H-bond donors
5
H-bond acceptors
14
Rotatable bonds
21
Heavy atoms
70
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
8
Undefined stereo
8
Formal charge
0
Heteroatoms
20
Covalent units
1
Fraction Csp3
0.62
Molar refractivity
271.61

Supplementary Information

InChIKey: JXGSPNMTEVRDAE-LLEPPMHLSA-N
مرادفات
JXGSPNMTEVRDAE-LLEPPMHLSA-Ntert-butyl (5S,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-[(1S)-1-hydroxyethyl]-3,6-dioxo-1-phenyl-2-oxa-4,7,11-triazatridecan-13-oate
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