3-[[5-oxidanyl-6-[(2-tetradecoxyphenyl)carbamoyl]naphthalen-1-yl]-(phenylmethyl)carbamoyl]sulfanylpropanoic acid

Systemtic Name: 3-[[5-oxidanyl-6-[(2-tetradecoxyphenyl)carbamoyl]naphthalen-1-yl]-(phenylmethyl)carbamoyl]sulfanylpropanoic acid Openeye Name: 3-[benzyl-[5-hydroxy-6-[(2-tetradecoxyphenyl)carbamoyl]-1-naphthyl]carbamoyl]sulfanylpropanoic acid CAS Name: 3-[[[[5-hydroxy-6-[oxo-(2-tetradecoxyanilino)methyl]-1-naphthalenyl]-(phenylmethyl)amino]-oxomethyl]thio]propanoic acid IUPAC Name: 3-[benzyl-[5-hydroxy-6-[(2-tetradecoxyphenyl)carbamoyl]naphthalen-1-yl]carbamoyl]sulfanylpropanoic acid Traditional Name: 3-[[benzyl-[5-hydroxy-6-[(2-myristyloxyphenyl)carbamoyl]-1-naphthyl]carbamoyl]thio]propionic acid Formula: C42H52N2O6S MolecularWeight: 712.93708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC=C1NC(=O)C2=C(C3=C(C=C2)C(=CC=C3)N(CC4=CC=CC=C4)C(=O)SCCC(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC=C1NC(=O)C2=C(C3=C(C=C2)C(=CC=C3)N(CC4=CC=CC=C4)C(=O)SCCC(=O)O)O

InChI

InChI=1S/C42H52N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-18-29-50-38-25-17-16-23-36(38)43-41(48)35-27-26-33-34(40(35)47)22-19-24-37(33)44(31-32-20-14-13-15-21-32)42(49)51-30-28-39(45)46/h13-17,19-27,47H,2-12,18,28-31H2,1H3,(H,43,48)(H,45,46)