CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N[N+](=O)[O-])C(=O)OCc1ccccc1
SMILES: CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N[N+](=O)[O-])C(=O)OCc1ccccc1

Molecular Processing

Molecular formula
C41H65N13O14
Molecular weight
964.05
Exact mass
963.4774
XLogP
-2.52
TPSA
416.46
H-bond donors
12
H-bond acceptors
15
Rotatable bonds
29
Heavy atoms
68
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
27
Covalent units
1
Fraction Csp3
0.585
Molar refractivity
240.22

Supplementary Information

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