SMILES:
CCN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCSC)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCC(=O)OC.CCN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCSC)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCC(=O)OC.Cl.Cl.OMolecular Processing
Molecular formula
C68H102Cl2N10O15S2
Molecular weight
1434.66
Exact mass
1432.6345
XLogP
3.71
TPSA
381.42
H-bond donors
12
H-bond acceptors
18
Rotatable bonds
44
Heavy atoms
97
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
29
Covalent units
5
Fraction Csp3
0.5
Molar refractivity
383.68
Supplementary Information
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