5-[[carboxycarbonyl-[[3-(dodecylcarbamoyl)phenyl]methyl]amino]methyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[[carboxycarbonyl-[[3-(dodecylcarbamoyl)phenyl]methyl]amino]methyl]thiophene-2-carboxylic acid Openeye Name: 5-[[[3-(dodecylcarbamoyl)phenyl]methyl-oxalo-amino]methyl]thiophene-2-carboxylic acid CAS Name: 5-[[[3-[(dodecylamino)-oxomethyl]phenyl]methyl-oxaloamino]methyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[[[3-(dodecylcarbamoyl)phenyl]methyl-oxaloamino]methyl]thiophene-2-carboxylic acid Traditional Name: 5-[[[3-(laurylcarbamoyl)benzyl]-oxalo-amino]methyl]-2-thenoic acid Formula: C28H38N2O6S MolecularWeight: 530.67612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=O)C1=CC(=CC=C1)CN(CC2=CC=C(S2)C(=O)O)C(=O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCNC(=O)C1=CC(=CC=C1)CN(CC2=CC=C(S2)C(=O)O)C(=O)C(=O)O

InChI

InChI=1S/C28H38N2O6S/c1-2-3-4-5-6-7-8-9-10-11-17-29-25(31)22-14-12-13-21(18-22)19-30(26(32)28(35)36)20-23-15-16-24(37-23)27(33)34/h12-16,18H,2-11,17,19-20H2,1H3,(H,29,31)(H,33,34)(H,35,36)