Name: (R,S)-[4-[2-amino-4-oxo-4-[4-(pyridin-4-yl)piperazin-1-yl]butyryl]-3-methoxy-carbonylmethyl-2-oxopiperazin-1-yl]acetic acid trifluoroacetic acid salt
SMILES:
CO[C@]1(C=C=O)C(=O)N(CC(=O)O)CCN1C(=O)[C@@H](N)CC(=O)N1CCN(c2ccncc2)CC1.O=C(O)C(F)(F)FMolecular Processing
Molecular formula
C24H29F3N6O9
Molecular weight
602.52
Exact mass
602.1948
XLogP
-1.43
TPSA
203.98
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
8
Heavy atoms
42
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
18
Covalent units
2
Fraction Csp3
0.5
Molar refractivity
135.25
Supplementary Information
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