名称: 4-nitrobenzyl (4R,5S,6S)-3-[(2S,4S)-2-(carbamoylmethyl)thiomethyl-1-(4-nitrobenzyloxycarbonyl)pyrrolidin-4-ylthio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
SMILES:
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(S[C@H]3C[C@@H](CSCC(N)=O)N(C(=O)OCc4ccc([N+](=O)[O-])cc4)C3)[C@H](C)[C@H]12Molecular Processing
Molecular formula
C32H35N5O11S2
Molecular weight
729.79
Exact mass
729.1774
XLogP
3.35
TPSA
225.75
H-bond donors
2
H-bond acceptors
13
Rotatable bonds
14
Heavy atoms
50
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
18
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
181.18
Supplementary Information
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