名称: 4-nitrobenzyl (1R, 5S, 6S)-2-{(2S, 4S)-2-[(3S)-3-dimethylaminopyrrolidin-1-ylcarbonyl]-1-(4-nitrobenzyloxycarbonyl)pyrrolidin-4-ylthio}-6-[(1R)-1-hydroxyethyl]-1-methyl-1-carbapen-2-em-3-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](C(=O)N4CC[C@H](N(C)C)C4)N(C(=O)OCc4ccc([N+](=O)[O-])cc4)C3)[C@H](C)[C@H]12Molecular Processing
Molecular formula
C36H42N6O11S
Molecular weight
766.83
Exact mass
766.2632
XLogP
3.29
TPSA
206.21
H-bond donors
1
H-bond acceptors
13
Rotatable bonds
12
Heavy atoms
54
Rings
6
Aromatic rings
2
Saturated rings
3
Aliphatic rings
4
Stereo centers
7
Undefined stereo
0
Formal charge
0
Heteroatoms
18
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
193.33
Supplementary Information
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