Name: tert-butyl 3(S)-[7-(1-benzyloxycarbonyl-4-piperidyl)-1(R)-ethoxycarbonylheptyl]amino-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-5-acetate
SMILES:
CCOC(=O)[C@@H](CCCCCCC1CCN(C(=O)OCc2ccccc2)CC1)N[C@H]1COc2ccccc2N(CC(=O)OC(C)(C)C)C1=OMolecular Processing
Molecular formula
C38H53N3O8
Molecular weight
679.86
Exact mass
679.3833
XLogP
6.03
TPSA
123.71
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
15
Heavy atoms
49
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.579
Molar refractivity
186.11
Supplementary Information
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Involved in 4 reactions→