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2-[carboxymethyl-[2-(octadecanoylamino)phenyl]amino]ethanoic acid

2-[carboxymethyl-[2-(octadecanoylamino)phenyl]amino]ethanoic acid

Systemtic Name:2-[carboxymethyl-[2-(octadecanoylamino)phenyl]amino]ethanoic acid
Openeye Name:2-[N-(carboxymethyl)-2-(octadecanoylamino)anilino]acetic acid
CAS Name:2-[N-(carboxymethyl)-2-(1-oxooctadecylamino)anilino]acetic acid
IUPAC Name:2-[N-(carboxymethyl)-2-(octadecanoylamino)anilino]acetic acid
Traditional Name:2-[N-(carboxymethyl)-2-stearamido-anilino]acetic acid
Formula: C28H46N2O5
MolecularWeight: 490.67524
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=CC=CC=C1N(CC(=O)O)CC(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=CC=CC=C1N(CC(=O)O)CC(=O)O


InChI

InChI=1S/C28H46N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26(31)29-24-19-17-18-20-25(24)30(22-27(32)33)23-28(34)35/h17-20H,2-16,21-23H2,1H3,(H,29,31)(H,32,33)(H,34,35)


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