Nom: 2-{[1-({[(3S)-1-(2-Ethoxy-2-oxoethyl)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]amino}carbonyl)cyclopentyl]methyl}-4-[isopropyl(methyl)amino]-4-oxobutanoic acid
SMILES:
CCOC(=O)CN1C(=O)[C@@H](NC(=O)C2(CC(CC(=O)N(C)C(C)C)C(=O)O)CCCC2)CCc2ccccc21Molecular Processing
Molecular formula
C29H41N3O7
Molecular weight
543.66
Exact mass
543.2945
XLogP
2.92
TPSA
133.32
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
39
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.621
Molar refractivity
144.85
Supplementary Information
Récupération des détails…
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