methyl 2-[[4-[2-(3,4-dimethoxyphenyl)sulfanylethanoylamino]piperidin-4-yl]carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[[4-[2-(3,4-dimethoxyphenyl)sulfanylethanoylamino]piperidin-4-yl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl 2-[[4-[[2-(3,4-dimethoxyphenyl)sulfanylacetyl]amino]piperidine-4-carbonyl]amino]-3-hydroxy-propanoate CAS Name: 2-[[[4-[[2-[(3,4-dimethoxyphenyl)thio]-1-oxoethyl]amino]-4-piperidinyl]-oxomethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[[4-[[2-(3,4-dimethoxyphenyl)sulfanylacetyl]amino]piperidine-4-carbonyl]amino]-3-hydroxypropanoate Traditional Name: 2-[[4-[[2-[(3,4-dimethoxyphenyl)thio]acetyl]amino]isonipecotoyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C20H29N3O7S MolecularWeight: 455.52516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SCC(=O)NC2(CCNCC2)C(=O)NC(CO)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SCC(=O)NC2(CCNCC2)C(=O)NC(CO)C(=O)OC)OC

InChI

InChI=1S/C20H29N3O7S/c1-28-15-5-4-13(10-16(15)29-2)31-12-17(25)23-20(6-8-21-9-7-20)19(27)22-14(11-24)18(26)30-3/h4-5,10,14,21,24H,6-9,11-12H2,1-3H3,(H,22,27)(H,23,25)