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)NC(=O)N(c2ccccc2)c2ccccc2)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
C54H69N5O12
Molecular weight
980.17
Exact mass
979.4943
XLogP
5.21
TPSA
238.05
H-bond donors
5
H-bond acceptors
12
Rotatable bonds
15
Heavy atoms
71
Rings
7
Aromatic rings
2
Saturated rings
4
Aliphatic rings
5
Stereo centers
13
Undefined stereo
1
Formal charge
0
Heteroatoms
17
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
260.9
Supplementary Information
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