4-methylsulfanyl-2-[[2-naphthalen-2-yl-4-[[(phenylmethyl)-pyridin-3-yl-amino]methyl]phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[2-naphthalen-2-yl-4-[[(phenylmethyl)-pyridin-3-yl-amino]methyl]phenyl]carbonylamino]butanoic acid Openeye Name: 2-[[4-[[benzyl(3-pyridyl)amino]methyl]-2-(2-naphthyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 4-(methylthio)-2-[[[2-(2-naphthalenyl)-4-[[(phenylmethyl)-(3-pyridinyl)amino]methyl]phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 2-[[4-[[benzyl(pyridin-3-yl)amino]methyl]-2-naphthalen-2-ylbenzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[[benzyl(3-pyridyl)amino]methyl]-2-(2-naphthyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C35H33N3O3S MolecularWeight: 575.71982

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)CN(CC2=CC=CC=C2)C3=CN=CC=C3)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)CN(CC2=CC=CC=C2)C3=CN=CC=C3)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C35H33N3O3S/c1-42-19-17-33(35(40)41)37-34(39)31-16-13-26(20-32(31)29-15-14-27-10-5-6-11-28(27)21-29)24-38(30-12-7-18-36-22-30)23-25-8-3-2-4-9-25/h2-16,18,20-22,33H,17,19,23-24H2,1H3,(H,37,39)(H,40,41)