Nombre: Ethyl (5S)-12-[(R)-(acetyloxy)[(2R,3R,4R,5S)-3,4-bis(acetyloxy)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl}-5-isobutyl-3,6-dioxo-1-phenyl-2-oxa-4,7,11-triazatridecan-1-oate
SMILES:
CCOC(=O)C(NCCCNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)[C@@H](OC(C)=O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=OMolecular Processing
Molecular formula
C36H49N5O14
Molecular weight
775.81
Exact mass
775.3276
XLogP
0.6
TPSA
248.75
H-bond donors
4
H-bond acceptors
15
Rotatable bonds
19
Heavy atoms
55
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
7
Undefined stereo
1
Formal charge
0
Heteroatoms
19
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
190.95
Supplementary Information
Obteniendo detalles…
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