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2-[[3-[carboxymethyl(octadecyl)carbamoyl]phenyl]amino]ethanoic acid

2-[[3-[carboxymethyl(octadecyl)carbamoyl]phenyl]amino]ethanoic acid

Systemtic Name:2-[[3-[carboxymethyl(octadecyl)carbamoyl]phenyl]amino]ethanoic acid
Openeye Name:2-[3-[carboxymethyl(octadecyl)carbamoyl]anilino]acetic acid
CAS Name:2-[3-[[carboxymethyl(octadecyl)amino]-oxomethyl]anilino]acetic acid
IUPAC Name:2-[3-[carboxymethyl(octadecyl)carbamoyl]anilino]acetic acid
Traditional Name:2-[3-[carboxymethyl(stearyl)carbamoyl]anilino]acetic acid
Formula: C29H48N2O5
MolecularWeight: 504.70182
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CC(=O)O)C(=O)C1=CC(=CC=C1)NCC(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CC(=O)O)C(=O)C1=CC(=CC=C1)NCC(=O)O


InChI

InChI=1S/C29H48N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-31(24-28(34)35)29(36)25-19-18-20-26(22-25)30-23-27(32)33/h18-20,22,30H,2-17,21,23-24H2,1H3,(H,32,33)(H,34,35)


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