2-azanyl-5-ethyl-4-phosphonooxy-heptacosanoic acid

Systemtic Name: 2-azanyl-5-ethyl-4-phosphonooxy-heptacosanoic acid Openeye Name: 2-amino-5-ethyl-4-phosphonooxy-heptacosanoic acid CAS Name: 2-amino-5-ethyl-4-phosphonooxyheptacosanoic acid IUPAC Name: 2-amino-5-ethyl-4-phosphonooxyheptacosanoic acid Traditional Name: 2-amino-5-ethyl-4-phosphonooxy-heptacosanoic acid Formula: C29H60NO6P MolecularWeight: 549.763561

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCC(CC)C(CC(C(=O)O)N)OP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCC(CC)C(CC(C(=O)O)N)OP(=O)(O)O

InChI

InChI=1S/C29H60NO6P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(4-2)28(36-37(33,34)35)25-27(30)29(31)32/h26-28H,3-25,30H2,1-2H3,(H,31,32)(H2,33,34,35)