methyl 2-[[2-(2-methylphenyl)-4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[2-(2-methylphenyl)-4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[2-(o-tolyl)-4-[(2-pyrrolidin-1-ylethylamino)methyl]benzoyl]amino]butanoate CAS Name: 2-[[[2-(2-methylphenyl)-4-[[2-(1-pyrrolidinyl)ethylamino]methyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[2-(2-methylphenyl)-4-[(2-pyrrolidin-1-ylethylamino)methyl]benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-[[2-(o-tolyl)-4-[(2-pyrrolidinoethylamino)methyl]benzoyl]amino]butyric acid methyl ester Formula: C27H37N3O3S MolecularWeight: 483.66598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CNCCN3CCCC3)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CNCCN3CCCC3)C(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C27H37N3O3S/c1-20-8-4-5-9-22(20)24-18-21(19-28-13-16-30-14-6-7-15-30)10-11-23(24)26(31)29-25(12-17-34-3)27(32)33-2/h4-5,8-11,18,25,28H,6-7,12-17,19H2,1-3H3,(H,29,31)