SMILES:
CCC(=O)O[C@]1(C(=O)C(O)OC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)C(C)C)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21CMolecular Processing
Molecular formula
C47H63ClN4O13S
Molecular weight
959.56
Exact mass
958.3801
XLogP
3.29
TPSA
251.88
H-bond donors
5
H-bond acceptors
13
Rotatable bonds
15
Heavy atoms
66
Rings
6
Aromatic rings
1
Saturated rings
4
Aliphatic rings
5
Stereo centers
13
Undefined stereo
1
Formal charge
0
Heteroatoms
19
Covalent units
1
Fraction Csp3
0.638
Molar refractivity
239.12
Supplementary Information
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