Название: allyl(1R,5S,6S)-2-[(3S,5S)-1-allyloxycarbonyl-5-[1-hydroxy-1-(imidazo[5,1-b]thiazol-3-yl)methyl]pyrrolidin-3-yl]thio-6-((1R)-1-hydroxyethyl)-1-methylcarbapen-2-em-3-carboxylate
SMILES:
C=CCOC(=O)C1=C(S[C@H]2C[C@@H](C(O)c3csc4cncn34)N(C(=O)OCC=C)C2)[C@H](C)[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12Molecular Processing
Molecular formula
C27H32N4O7S2
Molecular weight
588.71
Exact mass
588.1712
XLogP
2.73
TPSA
133.91
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
10
Heavy atoms
40
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
7
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.481
Molar refractivity
149.21
Supplementary Information
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