(2S)-2-[3-[5-(4-methylpiperidin-1-yl)-2-oxidanylidene-pyridin-1-yl]propanoylamino]butanoate

Systemtic Name: (2S)-2-[3-[5-(4-methylpiperidin-1-yl)-2-oxidanylidene-pyridin-1-yl]propanoylamino]butanoate Openeye Name: (2S)-2-[3-[5-(4-methyl-1-piperidyl)-2-oxo-1-pyridyl]propanoylamino]butanoate CAS Name: (2S)-2-[[3-[5-(4-methyl-1-piperidinyl)-2-oxo-1-pyridinyl]-1-oxopropyl]amino]butanoate IUPAC Name: (2S)-2-[3-[5-(4-methylpiperidin-1-yl)-2-oxopyridin-1-yl]propanoylamino]butanoate Traditional Name: (2S)-2-[3-[2-keto-5-(4-methylpiperidino)-1-pyridyl]propanoylamino]butyrate Formula: C18H26N3O4- MolecularWeight: 348.41674

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])NC(=O)CCN1C=C(C=CC1=O)N2CCC(CC2)C

Isomeric SMILES

CC[C@@H](C(=O)[O-])NC(=O)CCN1C=C(C=CC1=O)N2CCC(CC2)C

InChI

InChI=1S/C18H27N3O4/c1-3-15(18(24)25)19-16(22)8-11-21-12-14(4-5-17(21)23)20-9-6-13(2)7-10-20/h4-5,12-13,15H,3,6-11H2,1-2H3,(H,19,22)(H,24,25)/p-1/t15-/m0/s1