2-azanyl-4-[[bis(azanyl)methylideneamino]methyl]-7-(2-oxidanyloctadecan-3-yloxy)heptanoic acid

Systemtic Name: 2-azanyl-4-[[bis(azanyl)methylideneamino]methyl]-7-(2-oxidanyloctadecan-3-yloxy)heptanoic acid Openeye Name: 2-amino-4-(guanidinomethyl)-7-[1-(1-hydroxyethyl)hexadecoxy]heptanoic acid CAS Name: 2-amino-4-[(diaminomethylideneamino)methyl]-7-(2-hydroxyoctadecan-3-yloxy)heptanoic acid IUPAC Name: 2-amino-4-[(diaminomethylideneamino)methyl]-7-(2-hydroxyoctadecan-3-yloxy)heptanoic acid Traditional Name: 2-amino-4-(guanidinomethyl)-7-[1-(1-hydroxyethyl)hexadecoxy]enanthic acid Formula: C27H56N4O4 MolecularWeight: 500.75794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C(C)O)OCCCC(CC(C(=O)O)N)CN=C(N)N

Isomeric SMILES

CCCCCCCCCCCCCCCC(C(C)O)OCCCC(CC(C(=O)O)N)CN=C(N)N

InChI

InChI=1S/C27H56N4O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25(22(2)32)35-19-16-17-23(21-31-27(29)30)20-24(28)26(33)34/h22-25,32H,3-21,28H2,1-2H3,(H,33,34)(H4,29,30,31)