이름: Ethyl (5S)-12-[(R)-[(2R,3R,4R,5R)-3,4-bis(acetyloxy)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl](hydroxy)methyl]-5-[(1S)-1-hydroxy-2-methylpropyl]-3,6-dioxo-1-phenyl-2-oxa-4,7,11-triazatridecan-13-oate
SMILES:
CCOC(=O)C(NCCCNC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@@H](O)C(C)C)[C@@H](O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=OMolecular Processing
Molecular formula
C34H47N5O14
Molecular weight
749.77
Exact mass
749.312
XLogP
-1
TPSA
262.91
H-bond donors
6
H-bond acceptors
15
Rotatable bonds
18
Heavy atoms
53
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
8
Undefined stereo
1
Formal charge
0
Heteroatoms
19
Covalent units
1
Fraction Csp3
0.559
Molar refractivity
182.79
Supplementary Information
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