الاسم: tert-Butyl (5S,12S)-12-[(R)-[(3S,4R,5R)-3,4-dihydroxy-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
SMILES:
COc1ccc(Cn2c(=O)ccn([C@@H]3OC([C@H](O)[C@H](NCCCNC(=O)[C@@H](NC(=O)OCc4ccccc4)[C@H](C)O)C(=O)OC(C)(C)C)[C@@H](O)[C@H]3O)c2=O)cc1Molecular Processing
Molecular formula
C38H51N5O13
Molecular weight
785.85
Exact mass
785.3483
XLogP
-0.47
TPSA
249.14
H-bond donors
7
H-bond acceptors
14
Rotatable bonds
17
Heavy atoms
56
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
8
Undefined stereo
1
Formal charge
0
Heteroatoms
18
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
199.48
Supplementary Information
جارٍ جلب التفاصيل…
مشارك في 2 تفاعل→