$CC(OC(=O)OC1CCCCC1)OC(=O)C1=C(S/C=C\c2scnc2COCCO)[C@H](C)[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12$

SMILES: CC(OC(=O)OC1CCCCC1)OC(=O)C1=C(S/C=C\c2scnc2COCCO)[C@H](C)[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12

Molecular Processing

Molecular formula

C27H36N2O9S2

Molecular weight

596.72

Exact mass

596.1862

XLogP

3.8

TPSA

144.72

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.63

Molar refractivity

147.47

Supplementary Information

Details werden geladen…