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

Systemtic Name: 3-[[5-oxidanyl-6-[(2-tetradecylphenyl)carbamoyl]naphthalen-1-yl]-(phenylmethyl)carbamoyl]sulfanylpropanoic acid Openeye Name: 3-[benzyl-[5-hydroxy-6-[(2-tetradecylphenyl)carbamoyl]-1-naphthyl]carbamoyl]sulfanylpropanoic acid CAS Name: 3-[[[[5-hydroxy-6-[oxo-(2-tetradecylanilino)methyl]-1-naphthalenyl]-(phenylmethyl)amino]-oxomethyl]thio]propanoic acid IUPAC Name: 3-[benzyl-[5-hydroxy-6-[(2-tetradecylphenyl)carbamoyl]naphthalen-1-yl]carbamoyl]sulfanylpropanoic acid Traditional Name: 3-[[benzyl-[5-hydroxy-6-[(2-myristylphenyl)carbamoyl]-1-naphthyl]carbamoyl]thio]propionic acid Formula: C42H52N2O5S MolecularWeight: 696.93768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1=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

CCCCCCCCCCCCCCC1=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/C42H52N2O5S/c1-2-3-4-5-6-7-8-9-10-11-12-16-22-33-23-17-18-25-37(33)43-41(48)36-28-27-34-35(40(36)47)24-19-26-38(34)44(31-32-20-14-13-15-21-32)42(49)50-30-29-39(45)46/h13-15,17-21,23-28,47H,2-12,16,22,29-31H2,1H3,(H,43,48)(H,45,46)