propan-2-yl 2-[2-[(2-methoxyphenyl)methyl-(pyrrolidin-1-ylmethyl)amino]ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: propan-2-yl 2-[2-[(2-methoxyphenyl)methyl-(pyrrolidin-1-ylmethyl)amino]ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: isopropyl 2-[[2-[(2-methoxyphenyl)methyl-(pyrrolidin-1-ylmethyl)amino]acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[2-[(2-methoxyphenyl)methyl-(1-pyrrolidinylmethyl)amino]-1-oxoethyl]amino]-4-(methylthio)butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[2-[(2-methoxyphenyl)methyl-(pyrrolidin-1-ylmethyl)amino]acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-[[2-[o-anisyl(pyrrolidinomethyl)amino]acetyl]amino]butyric acid isopropyl ester Formula: C23H37N3O4S MolecularWeight: 451.62258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CCSC)NC(=O)CN(CC1=CC=CC=C1OC)CN2CCCC2

Isomeric SMILES

CC(C)OC(=O)C(CCSC)NC(=O)CN(CC1=CC=CC=C1OC)CN2CCCC2

InChI

InChI=1S/C23H37N3O4S/c1-18(2)30-23(28)20(11-14-31-4)24-22(27)16-26(17-25-12-7-8-13-25)15-19-9-5-6-10-21(19)29-3/h5-6,9-10,18,20H,7-8,11-17H2,1-4H3,(H,24,27)