2-[4-azanyl-3-[2-[[(E)-but-2-enoyl]amino]pentanoyloxy]-4-oxidanylidene-butyl]tridecanoic acid

Systemtic Name: 2-[4-azanyl-3-[2-[[(E)-but-2-enoyl]amino]pentanoyloxy]-4-oxidanylidene-butyl]tridecanoic acid Openeye Name: 2-[4-amino-3-[2-[[(E)-but-2-enoyl]amino]pentanoyloxy]-4-oxo-butyl]tridecanoic acid CAS Name: 2-[4-amino-4-oxo-3-[1-oxo-2-[[(E)-1-oxobut-2-enyl]amino]pentoxy]butyl]tridecanoic acid IUPAC Name: 2-[4-amino-3-[2-[[(E)-but-2-enoyl]amino]pentanoyloxy]-4-oxobutyl]tridecanoic acid Traditional Name: 2-[4-amino-3-[2-[[(E)-but-2-enoyl]amino]pentanoyloxy]-4-keto-butyl]tridecanoic acid Formula: C26H46N2O6 MolecularWeight: 482.65324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCC(CCC(C(=O)N)OC(=O)C(CCC)NC(=O)/C=C/C)C(=O)O

InChI

InChI=1S/C26H46N2O6/c1-4-7-8-9-10-11-12-13-14-17-20(25(31)32)18-19-22(24(27)30)34-26(33)21(15-5-2)28-23(29)16-6-3/h6,16,20-22H,4-5,7-15,17-19H2,1-3H3,(H2,27,30)(H,28,29)(H,31,32)/b16-6+