2-[12-(1-adamantylcarbamoylamino)dodecanoylamino]decanoic acid

Systemtic Name: 2-[12-(1-adamantylcarbamoylamino)dodecanoylamino]decanoic acid Openeye Name: 2-[12-(1-adamantylcarbamoylamino)dodecanoylamino]decanoic acid CAS Name: 2-[[12-[[(1-adamantylamino)-oxomethyl]amino]-1-oxododecyl]amino]decanoic acid IUPAC Name: 2-[12-(1-adamantylcarbamoylamino)dodecanoylamino]decanoic acid Traditional Name: 2-[12-(1-adamantylcarbamoylamino)dodecanoylamino]capric acid Formula: C33H59N3O4 MolecularWeight: 561.83926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)O)NC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CCCCCCCCC(C(=O)O)NC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C33H59N3O4/c1-2-3-4-5-11-14-17-29(31(38)39)35-30(37)18-15-12-9-7-6-8-10-13-16-19-34-32(40)36-33-23-26-20-27(24-33)22-28(21-26)25-33/h26-29H,2-25H2,1H3,(H,35,37)(H,38,39)(H2,34,36,40)