CC(C)(C)C(=O)SCC1CCCCCCCSCC(NC1=O)C(=O)O
Nom: (3R)-6-(2,2-dimethylpropanoylsulfanylmethyl)-5-oxo-1-thia-4-azacyclotridecane-3-carboxylic acid
SMILES: CC(C)(C)C(=O)SCC1CCCCCCCSCC(NC1=O)C(=O)O

Molecular Processing

Molecular formula
C18H31NO4S2
Molecular weight
389.58
Exact mass
389.1695
XLogP
3.57
TPSA
83.47
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
25
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
105

Supplementary Information

InChIKey: VJCVIJDEYWQDJE-KZUDCZAMSA-N
Synonymes
SCHEMBL7385572VJCVIJDEYWQDJE-KZUDCZAMSA-N(3R)-6-(Pivaloylthiomethyl)-5-oxo-1-thia-4-azacyclotridecane-3-carboxylic acid(3R)-6-(Pivaloylthiomethyl)-5-oxo-1thia-4-azacyclotridecane-3-carboxylic acid
Voir la source →
Impliqué dans 2 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→