C1CCC(C1)OC(C(C(CC2=CC=CC=C2)NC(=O)OC3COC4C3CCO4)O)NS(=O)(=O)C5=CC=C(C=C5)O
이름: [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-cyclopentyloxy-3-hydroxy-4-[(4-hydroxyphenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate
SMILES: C1CCC(C1)OC(C(C(CC2=CC=CC=C2)NC(=O)OC3COC4C3CCO4)O)NS(=O)(=O)C5=CC=C(C=C5)O

Molecular Processing

Molecular formula
C28H36N2O9S
Molecular weight
576.67
Exact mass
576.2142
XLogP
2.42
TPSA
152.65
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
11
Heavy atoms
40
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.536
Molar refractivity
142.7

Supplementary Information

InChIKey: XQOIRYJQRRFGAH-QKSBKCCOSA-N
동의어
SCHEMBL4872622XQOIRYJQRRFGAH-QKSBKCCOSA-N(3R,3aS,6aR)hexahydrofuro[2,3-b]furan-3-yl N-((1S,2R)-1-benzyl-3-(cyclopentyloxy)[(4-hydroxyphenyl)sulfonyl]amino-2-hydroxypropyl)carbamate
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