2-[[6-[(2-methanoylphenyl)carbamoyl]-5-oxidanyl-naphthalen-1-yl]-tetradecyl-carbamoyl]sulfanylethanoic acid

Systemtic Name: 2-[[6-[(2-methanoylphenyl)carbamoyl]-5-oxidanyl-naphthalen-1-yl]-tetradecyl-carbamoyl]sulfanylethanoic acid Openeye Name: 2-[[6-[(2-formylphenyl)carbamoyl]-5-hydroxy-1-naphthyl]-tetradecyl-carbamoyl]sulfanylacetic acid CAS Name: 2-[[[[6-[(2-formylanilino)-oxomethyl]-5-hydroxy-1-naphthalenyl]-tetradecylamino]-oxomethyl]thio]acetic acid IUPAC Name: 2-[[6-[(2-formylphenyl)carbamoyl]-5-hydroxynaphthalen-1-yl]-tetradecylcarbamoyl]sulfanylacetic acid Traditional Name: 2-[[[6-[(2-formylphenyl)carbamoyl]-5-hydroxy-1-naphthyl]-myristyl-carbamoyl]thio]acetic acid Formula: C35H44N2O6S MolecularWeight: 620.79866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCN(C1=CC=CC2=C1C=CC(=C2O)C(=O)NC3=CC=CC=C3C=O)C(=O)SCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCN(C1=CC=CC2=C1C=CC(=C2O)C(=O)NC3=CC=CC=C3C=O)C(=O)SCC(=O)O

InChI

InChI=1S/C35H44N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-15-23-37(35(43)44-25-32(39)40)31-20-16-18-28-27(31)21-22-29(33(28)41)34(42)36-30-19-14-13-17-26(30)24-38/h13-14,16-22,24,41H,2-12,15,23,25H2,1H3,(H,36,42)(H,39,40)