CC(C)(C)N1CCC[C@@]1(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC#N)NC(=O)OCc1ccccc1)C(N)=O.CC(C)(C)N1CCC[C@@]1(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC#N)NC(=O)OCc1ccccc1)C(N)=O.N#N.O
SMILES: CC(C)(C)N1CCC[C@@]1(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC#N)NC(=O)OCc1ccccc1)C(N)=O.CC(C)(C)N1CCC[C@@]1(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC#N)NC(=O)OCc1ccccc1)C(N)=O.N#N.O

Molecular Processing

Molecular formula
C62H84N12O11
Molecular weight
1173.43
Exact mass
1172.6383
XLogP
4.79
TPSA
394.64
H-bond donors
8
H-bond acceptors
16
Rotatable bonds
24
Heavy atoms
85
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
8
Undefined stereo
0
Formal charge
0
Heteroatoms
23
Covalent units
4
Fraction Csp3
0.484
Molar refractivity
315.26

Supplementary Information

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