2-[4-azanyl-4-oxidanylidene-3-[2-(pyridin-3-ylcarbonylamino)pentanoyloxy]butyl]tridecanoic acid

Systemtic Name: 2-[4-azanyl-4-oxidanylidene-3-[2-(pyridin-3-ylcarbonylamino)pentanoyloxy]butyl]tridecanoic acid Openeye Name: 2-[4-amino-4-oxo-3-[2-(pyridine-3-carbonylamino)pentanoyloxy]butyl]tridecanoic acid CAS Name: 2-[4-amino-4-oxo-3-[1-oxo-2-[[oxo(3-pyridinyl)methyl]amino]pentoxy]butyl]tridecanoic acid IUPAC Name: 2-[4-amino-4-oxo-3-[2-(pyridine-3-carbonylamino)pentanoyloxy]butyl]tridecanoic acid Traditional Name: 2-[4-amino-4-keto-3-(2-nicotinamidopentanoyloxy)butyl]tridecanoic acid Formula: C28H45N3O6 MolecularWeight: 519.6734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCC(C(=O)N)OC(=O)C(CCC)NC(=O)C1=CN=CC=C1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(CCC(C(=O)N)OC(=O)C(CCC)NC(=O)C1=CN=CC=C1)C(=O)O

InChI

InChI=1S/C28H45N3O6/c1-3-5-6-7-8-9-10-11-12-15-21(27(34)35)17-18-24(25(29)32)37-28(36)23(14-4-2)31-26(33)22-16-13-19-30-20-22/h13,16,19-21,23-24H,3-12,14-15,17-18H2,1-2H3,(H2,29,32)(H,31,33)(H,34,35)