$CC(C)C(OC(=O)OC1CCCCC1)OC(=O)C1=C(S/C=C\c2scnc2CO)[C@H](C)[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12$

SMILES: CC(C)C(OC(=O)OC1CCCCC1)OC(=O)C1=C(S/C=C\c2scnc2CO)[C@H](C)[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12

Molecular Processing

Molecular formula

C27H36N2O8S2

Molecular weight

580.73

Exact mass

580.1913

XLogP

4.42

TPSA

135.49

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

145.81

Supplementary Information

Details werden geladen…