2-[[2-(2-methylphenyl)-4-[(4-phenylbutylamino)methyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-(2-methylphenyl)-4-[(4-phenylbutylamino)methyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(o-tolyl)-4-[(4-phenylbutylamino)methyl]benzoyl]amino]butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-4-[(4-phenylbutylamino)methyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(2-methylphenyl)-4-[(4-phenylbutylamino)methyl]benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[[2-(o-tolyl)-4-[(4-phenylbutylamino)methyl]benzoyl]amino]butyric acid Formula: C30H36N2O3S MolecularWeight: 504.68344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CNCCCCC3=CC=CC=C3)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CNCCCCC3=CC=CC=C3)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C30H36N2O3S/c1-22-10-6-7-14-25(22)27-20-24(21-31-18-9-8-13-23-11-4-3-5-12-23)15-16-26(27)29(33)32-28(30(34)35)17-19-36-2/h3-7,10-12,14-16,20,28,31H,8-9,13,17-19,21H2,1-2H3,(H,32,33)(H,34,35)