CC(C)(C)OC(=O)CCCCCCC[NH-].CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)O)C(C)C
SMILES: CC(C)(C)OC(=O)CCCCCCC[NH-].CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)O)C(C)C

Molecular Processing

Molecular formula
C43H70N7O9-
Molecular weight
829.07
Exact mass
828.5241
XLogP
6.05
TPSA
241.71
H-bond donors
6
H-bond acceptors
9
Rotatable bonds
22
Heavy atoms
59
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
4
Undefined stereo
0
Formal charge
-1
Heteroatoms
16
Covalent units
2
Fraction Csp3
0.651
Molar refractivity
226.05

Supplementary Information

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