CCCCCCCCCCCC(=O)NC(C(C)C)C(=O)O
CAS: 14379-28-3
Название: (2S)-2-(dodecanoylamino)-3-methylbutanoic acid
SMILES: CCCCCCCCCCCC(=O)NC(C(C)C)C(=O)O

Molecular Processing

Molecular formula
C17H33NO3
Molecular weight
299.46
Exact mass
299.246
XLogP
4.13
TPSA
66.4
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
13
Heavy atoms
21
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.882
Molar refractivity
86.25

Supplementary Information

InChIKey: WQHXCNGQDLRDMP-INIZCTEOSA-N
Синонимы
14379-28-3N-(1-OXODODECYL)-L-VALINEN-lauroyl-L-valineL-Valine, N-(1-oxododecyl)-(2S)-2-(dodecanoylamino)-3-methylbutanoic acidN-lauroylvalineN-DODECANOYL-VALINEN-dodecanoyl-l-valSCHEMBL2636223N-(1-Hydroxydodecylidene)valineDTXSID10932101WQHXCNGQDLRDMP-INIZCTEOSA-NN-(1-Hydroxydodecylidene)-L-valineAKOS014787207
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