4-[[(2R)-2-[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]propanoyl]amino]butanoate

Systemtic Name: 4-[[(2R)-2-[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]propanoyl]amino]butanoate Openeye Name: 4-[[(2R)-2-[5-(azepan-1-yl)-2-oxo-1-pyridyl]propanoyl]amino]butanoate CAS Name: 4-[[(2R)-2-[5-(1-azepanyl)-2-oxo-1-pyridinyl]-1-oxopropyl]amino]butanoate IUPAC Name: 4-[[(2R)-2-[5-(azepan-1-yl)-2-oxopyridin-1-yl]propanoyl]amino]butanoate Traditional Name: 4-[[(2R)-2-[5-(azepan-1-yl)-2-keto-1-pyridyl]propanoyl]amino]butyrate Formula: C18H26N3O4- MolecularWeight: 348.41674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCC(=O)[O-])N1C=C(C=CC1=O)N2CCCCCC2

Isomeric SMILES

C[C@H](C(=O)NCCCC(=O)[O-])N1C=C(C=CC1=O)N2CCCCCC2

InChI

InChI=1S/C18H27N3O4/c1-14(18(25)19-10-6-7-17(23)24)21-13-15(8-9-16(21)22)20-11-4-2-3-5-12-20/h8-9,13-14H,2-7,10-12H2,1H3,(H,19,25)(H,23,24)/p-1/t14-/m1/s1