(2S)-2-[3-[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]propanoylamino]butanoic acid

Systemtic Name: (2S)-2-[3-[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]propanoylamino]butanoic acid Openeye Name: (2S)-2-[3-[5-(azepan-1-yl)-2-oxo-1-pyridyl]propanoylamino]butanoic acid CAS Name: (2S)-2-[[3-[5-(1-azepanyl)-2-oxo-1-pyridinyl]-1-oxopropyl]amino]butanoic acid IUPAC Name: (2S)-2-[3-[5-(azepan-1-yl)-2-oxopyridin-1-yl]propanoylamino]butanoic acid Traditional Name: (2S)-2-[3-[5-(azepan-1-yl)-2-keto-1-pyridyl]propanoylamino]butyric acid Formula: C18H27N3O4 MolecularWeight: 349.42468

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)CCN1C=C(C=CC1=O)N2CCCCCC2

Isomeric SMILES

CC[C@@H](C(=O)O)NC(=O)CCN1C=C(C=CC1=O)N2CCCCCC2

InChI

InChI=1S/C18H27N3O4/c1-2-15(18(24)25)19-16(22)9-12-21-13-14(7-8-17(21)23)20-10-5-3-4-6-11-20/h7-8,13,15H,2-6,9-12H2,1H3,(H,19,22)(H,24,25)/t15-/m0/s1