1-(6-azanylhexyl)-3-[(1S,2S)-2-(6-azanylhexylcarbamoylamino)cyclohexyl]urea

Systemtic Name: 1-(6-azanylhexyl)-3-[(1S,2S)-2-(6-azanylhexylcarbamoylamino)cyclohexyl]urea Openeye Name: 1-(6-aminohexyl)-3-[(1S,2S)-2-(6-aminohexylcarbamoylamino)cyclohexyl]urea CAS Name: 1-(6-aminohexyl)-3-[(1S,2S)-2-[[(6-aminohexylamino)-oxomethyl]amino]cyclohexyl]urea IUPAC Name: 1-(6-aminohexyl)-3-[(1S,2S)-2-(6-aminohexylcarbamoylamino)cyclohexyl]urea Traditional Name: 1-(6-aminohexyl)-3-[(1S,2S)-2-(6-aminohexylcarbamoylamino)cyclohexyl]urea Formula: C20H42N6O2 MolecularWeight: 398.58648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NC(=O)NCCCCCCN)NC(=O)NCCCCCCN

Isomeric SMILES

C1CC[C@@H]([C@H](C1)NC(=O)NCCCCCCN)NC(=O)NCCCCCCN

InChI

InChI=1S/C20H42N6O2/c21-13-7-1-3-9-15-23-19(27)25-17-11-5-6-12-18(17)26-20(28)24-16-10-4-2-8-14-22/h17-18H,1-16,21-22H2,(H2,23,25,27)(H2,24,26,28)/t17-,18-/m0/s1