methyl (2S)-2-[[1-(4-bromophenyl)carbonylpiperidin-4-yl]carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[[1-(4-bromophenyl)carbonylpiperidin-4-yl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-2-[[1-(4-bromobenzoyl)piperidine-4-carbonyl]amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[[1-[(4-bromophenyl)-oxomethyl]-4-piperidinyl]-oxomethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-(4-bromobenzoyl)piperidine-4-carbonyl]amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[[1-(4-bromobenzoyl)isonipecotoyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C17H21BrN2O5 MolecularWeight: 413.26304

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)[C@H](CO)NC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H21BrN2O5/c1-25-17(24)14(10-21)19-15(22)11-6-8-20(9-7-11)16(23)12-2-4-13(18)5-3-12/h2-5,11,14,21H,6-10H2,1H3,(H,19,22)/t14-/m0/s1