methyl (2S)-3-oxidanyl-2-[[(3S)-1-(phenylcarbamoyl)piperidin-3-yl]carbonylamino]propanoate

Systemtic Name: methyl (2S)-3-oxidanyl-2-[[(3S)-1-(phenylcarbamoyl)piperidin-3-yl]carbonylamino]propanoate Openeye Name: methyl (2S)-3-hydroxy-2-[[(3S)-1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]propanoate CAS Name: (2S)-2-[[[(3S)-1-[anilino(oxo)methyl]-3-piperidinyl]-oxomethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-3-hydroxy-2-[[(3S)-1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]propanoate Traditional Name: (2S)-3-hydroxy-2-[[(3S)-1-(phenylcarbamoyl)nipecotoyl]amino]propionic acid methyl ester Formula: C17H23N3O5 MolecularWeight: 349.38162

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C1CCCN(C1)C(=O)NC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H](CO)NC(=O)[C@H]1CCCN(C1)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C17H23N3O5/c1-25-16(23)14(11-21)19-15(22)12-6-5-9-20(10-12)17(24)18-13-7-3-2-4-8-13/h2-4,7-8,12,14,21H,5-6,9-11H2,1H3,(H,18,24)(H,19,22)/t12-,14-/m0/s1