이름: tert-butyl (2R,4R)-4-methylsulfonyloxy-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CC(CC1C(=O)NC2=CC=C(C=C2)N3CCOCC3=O)OS(=O)(=O)CMolecular Processing
Molecular formula
C21H29N3O8S
Molecular weight
483.54
Exact mass
483.1675
XLogP
1.34
TPSA
131.55
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
33
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
119.31
Supplementary Information
InChIKey: RCDUHIPCNOJISI-IAGOWNOFSA-N
동의어
SCHEMBL76354RCDUHIPCNOJISI-IAGOWNOFSA-Ntert-butyl (2R,4R)-4-methanesulfonyloxy-2-[4-(3-oxomorpholin-4-yl)phenylcarbamoyl]pyrrolidine-1-carboxylate
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