2,3-bis(azanyl)-2-(3-octadecoxyphenyl)-3-oxidanylidene-propanoic acid

Systemtic Name: 2,3-bis(azanyl)-2-(3-octadecoxyphenyl)-3-oxidanylidene-propanoic acid Openeye Name: 2,3-diamino-2-(3-octadecoxyphenyl)-3-oxo-propanoic acid CAS Name: 2,3-diamino-2-(3-octadecoxyphenyl)-3-oxopropanoic acid IUPAC Name: 2,3-diamino-2-(3-octadecoxyphenyl)-3-oxopropanoic acid Traditional Name: 2,3-diamino-3-keto-2-(3-stearyloxyphenyl)propionic acid Formula: C27H46N2O4 MolecularWeight: 462.66514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=CC(=C1)C(C(=O)N)(C(=O)O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=CC(=C1)C(C(=O)N)(C(=O)O)N

InChI

InChI=1S/C27H46N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-33-24-20-18-19-23(22-24)27(29,25(28)30)26(31)32/h18-20,22H,2-17,21,29H2,1H3,(H2,28,30)(H,31,32)