$CC(C)(O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3cc(CCCN)c(N)n3CCO)CS[C@H]12)c1nsc(N)n1)C(=O)O$

SMILES: CC(C)(O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3cc(CCCN)c(N)n3CCO)CS[C@H]12)c1nsc(N)n1)C(=O)O

Molecular Processing

Molecular formula

C24H32N10O8S2

Molecular weight

652.72

Exact mass

652.1846

XLogP

-3.64

TPSA

281.31

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

0.5

Molar refractivity

154.21

Supplementary Information

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