1,4-bis[(3-azanyl-2-oxidanyl-propyl)-hexadecyl-amino]butane-2,3-diol

Systemtic Name: 1,4-bis[(3-azanyl-2-oxidanyl-propyl)-hexadecyl-amino]butane-2,3-diol Openeye Name: 1,4-bis[(3-amino-2-hydroxy-propyl)-hexadecyl-amino]butane-2,3-diol CAS Name: 1,4-bis[(3-amino-2-hydroxypropyl)-hexadecylamino]butane-2,3-diol IUPAC Name: 1,4-bis[(3-amino-2-hydroxypropyl)-hexadecylamino]butane-2,3-diol Traditional Name: 1,4-bis[(3-amino-2-hydroxy-propyl)-cetyl-amino]butane-2,3-diol Formula: C42H90N4O4 MolecularWeight: 715.1884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(CC(CN)O)CC(C(CN(CCCCCCCCCCCCCCCC)CC(CN)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCN(CC(CN)O)CC(C(CN(CCCCCCCCCCCCCCCC)CC(CN)O)O)O

InChI

InChI=1S/C42H90N4O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-45(35-39(47)33-43)37-41(49)42(50)38-46(36-40(48)34-44)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39-42,47-50H,3-38,43-44H2,1-2H3