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

Systemtic Name: methyl 2-[2-[(2-methoxyphenyl)methyl-(pyrrolidin-1-ylmethyl)amino]ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H33N3O4S MolecularWeight: 423.56942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN(CC(=O)NC(CCSC)C(=O)OC)CN2CCCC2

Isomeric SMILES

COC1=CC=CC=C1CN(CC(=O)NC(CCSC)C(=O)OC)CN2CCCC2

InChI

InChI=1S/C21H33N3O4S/c1-27-19-9-5-4-8-17(19)14-24(16-23-11-6-7-12-23)15-20(25)22-18(10-13-29-3)21(26)28-2/h4-5,8-9,18H,6-7,10-16H2,1-3H3,(H,22,25)