CCC(Sc1nnn[nH]1)C1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1
SMILES: CCC(Sc1nnn[nH]1)C1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1

Molecular Processing

Molecular formula
C30H28N6O4S3
Molecular weight
632.79
Exact mass
632.1334
XLogP
4.36
TPSA
130.17
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
11
Heavy atoms
43
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
165

Supplementary Information

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