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2-[carboxymethyl-[3-(octadecanoylamino)phenyl]carbonyl-amino]ethanoic acid

2-[carboxymethyl-[3-(octadecanoylamino)phenyl]carbonyl-amino]ethanoic acid

Systemtic Name:2-[carboxymethyl-[3-(octadecanoylamino)phenyl]carbonyl-amino]ethanoic acid
Openeye Name:2-[carboxymethyl-[3-(octadecanoylamino)benzoyl]amino]acetic acid
CAS Name:2-[carboxymethyl-[oxo-[3-(1-oxooctadecylamino)phenyl]methyl]amino]acetic acid
IUPAC Name:2-[carboxymethyl-[3-(octadecanoylamino)benzoyl]amino]acetic acid
Traditional Name:2-[carboxymethyl-(3-stearamidobenzoyl)amino]acetic acid
Formula: C29H46N2O6
MolecularWeight: 518.68534
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=CC=CC(=C1)C(=O)N(CC(=O)O)CC(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=CC=CC(=C1)C(=O)N(CC(=O)O)CC(=O)O


InChI

InChI=1S/C29H46N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26(32)30-25-19-17-18-24(21-25)29(37)31(22-27(33)34)23-28(35)36/h17-19,21H,2-16,20,22-23H2,1H3,(H,30,32)(H,33,34)(H,35,36)


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