CC(C)C(CCNC(=N)N)CC(O)C(CC1CCCCC1)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C
SMILES: CC(C)C(CCNC(=N)N)CC(O)C(CC1CCCCC1)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C37H60N8O5
Molecular weight
696.94
Exact mass
696.4687
XLogP
3.92
TPSA
207.34
H-bond donors
8
H-bond acceptors
7
Rotatable bonds
18
Heavy atoms
50
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.649
Molar refractivity
194.13

Supplementary Information

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