CC(C)(C)OC(=O)N(CCCCCC(=O)N(CCCCCC(=O)OC)CCCCCC(=O)OC)CCCCCC(=O)N(CCCCCC(=O)OC)CCCCCC(=O)OC
Name: methyl 6-[6-[[6-[bis(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoyl-(6-methoxy-6-oxohexyl)amino]hexanoate
SMILES: CC(C)(C)OC(=O)N(CCCCCC(=O)N(CCCCCC(=O)OC)CCCCCC(=O)OC)CCCCCC(=O)N(CCCCCC(=O)OC)CCCCCC(=O)OC

Molecular Processing

Molecular formula
C45H81N3O12
Molecular weight
856.15
Exact mass
855.582
XLogP
7.94
TPSA
175.36
H-bond donors
0
H-bond acceptors
12
Rotatable bonds
36
Heavy atoms
60
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.844
Molar refractivity
229.84

Supplementary Information

InChIKey: JLRRIRGSQOXKGG-UHFFFAOYSA-N
Synonyme
SCHEMBL2583801JLRRIRGSQOXKGG-UHFFFAOYSA-Nn-boc-n,n-bis-(n',n'-bis(5-methoxycarbonylpentyl)-5-carbamyl pentyl)amine
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