4-[3-[[3-(5-azanyl-3-octadecoxy-1-phenylmethoxy-hexan-3-yl)phenyl]methylsulfanylmethyl]phenyl]-4-octadecoxy-6-phenylmethoxy-hexan-2-amine

Systemtic Name: 4-[3-[[3-(5-azanyl-3-octadecoxy-1-phenylmethoxy-hexan-3-yl)phenyl]methylsulfanylmethyl]phenyl]-4-octadecoxy-6-phenylmethoxy-hexan-2-amine Openeye Name: 4-[3-[[3-[3-amino-1-(2-benzyloxyethyl)-1-octadecoxy-butyl]phenyl]methylsulfanylmethyl]phenyl]-6-benzyloxy-4-octadecoxy-hexan-2-amine CAS Name: 4-[3-[[[3-(5-amino-3-octadecoxy-1-phenylmethoxyhexan-3-yl)phenyl]methylthio]methyl]phenyl]-4-octadecoxy-6-phenylmethoxy-2-hexanamine IUPAC Name: 4-[3-[[3-(5-amino-3-octadecoxy-1-phenylmethoxyhexan-3-yl)phenyl]methylsulfanylmethyl]phenyl]-4-octadecoxy-6-phenylmethoxyhexan-2-amine Traditional Name: [3-[3-[[[3-[3-amino-1-(2-benzoxyethyl)-1-stearyloxy-butyl]benzyl]thio]methyl]phenyl]-5-benzoxy-1-methyl-3-stearyloxy-pentyl]amine Formula: C76H124N2O4S MolecularWeight: 1161.87376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(CCOCC1=CC=CC=C1)(CC(C)N)C2=CC=CC(=C2)CSCC3=CC(=CC=C3)C(CCOCC4=CC=CC=C4)(CC(C)N)OCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(CCOCC1=CC=CC=C1)(CC(C)N)C2=CC=CC(=C2)CSCC3=CC(=CC=C3)C(CCOCC4=CC=CC=C4)(CC(C)N)OCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C76H124N2O4S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41-55-81-75(61-67(3)77,53-57-79-63-69-45-37-35-38-46-69)73-51-43-49-71(59-73)65-83-66-72-50-44-52-74(60-72)76(62-68(4)78,54-58-80-64-70-47-39-36-40-48-70)82-56-42-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h35-40,43-52,59-60,67-68H,5-34,41-42,53-58,61-66,77-78H2,1-4H3