이름: (2R,9S)-9-(acetylsulfanylmethyl)-10-oxoazecane-2-carboxylic acid
SMILES:
CC(=O)SCC1CCCCCCC(NC1=O)C(=O)OMolecular Processing
Molecular formula
C13H21NO4S
Molecular weight
287.38
Exact mass
287.1191
XLogP
1.81
TPSA
83.47
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
19
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.769
Molar refractivity
73.9
Supplementary Information
InChIKey: JNSGCXKEBNBERY-GHMZBOCLSA-N
동의어
JNSGCXKEBNBERY-GHMZBOCLSA-Ntrans 3-(acetylthiomethyl)-2-oxo-1-azacyclodecane-10-carboxylic acid
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