CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)O
SMILES: CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)O

Molecular Processing

Molecular formula
C35H50N8O6
Molecular weight
678.84
Exact mass
678.3853
XLogP
0.78
TPSA
232.83
H-bond donors
8
H-bond acceptors
7
Rotatable bonds
19
Heavy atoms
49
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.486
Molar refractivity
185.11

Supplementary Information

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