COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OCSC)[C@H](C)OC2=O)c1O
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OCSC)[C@H](C)OC2=O)c1O

Molecular Processing

Molecular formula
C24H28N2O8S
Molecular weight
504.56
Exact mass
504.1566
XLogP
1.95
TPSA
133.28
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
8
Heavy atoms
35
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
127.11

Supplementary Information

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