名称: 4-nitrobenzyl (1R, 5S ,6S)-2-{(2S, 4S)-2-[(3S)-3-(4-nitrobenzyloxycarbonyl)aminopyrrolidin-1-ylcarbonyl]-1-methylpyrrolidin-4ylthio}-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](NC(=O)OCc5ccc([N+](=O)[O-])cc5)C4)N(C)C3)[C@H](C)[C@H]12Molecular Processing
Molecular formula
C35H40N6O11S
Molecular weight
752.8
Exact mass
752.2476
XLogP
2.95
TPSA
215
H-bond donors
2
H-bond acceptors
13
Rotatable bonds
12
Heavy atoms
53
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
0.486
Molar refractivity
188.7
Supplementary Information
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