الاسم: 3(S)-[6-amino-1(S)-ethoxycarbonylhexyl]amino-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-5-acetic acid dihydrochloride
SMILES:
CCOC(=O)[C@H](CCCCCN)N[C@H]1COc2ccccc2N(CC(=O)O)C1=O.Cl.ClMolecular Processing
Molecular formula
C20H31Cl2N3O6
Molecular weight
480.39
Exact mass
479.159
XLogP
1.75
TPSA
131.19
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
11
Heavy atoms
31
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
3
Fraction Csp3
0.55
Molar refractivity
121.29
Supplementary Information
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