4-(2-carboxyethyl)-4-[(N'-hexadecylcarbamimidoyl)amino]heptanedioic acid

Systemtic Name: 4-(2-carboxyethyl)-4-[(N'-hexadecylcarbamimidoyl)amino]heptanedioic acid Openeye Name: 4-(2-carboxyethyl)-4-[(N'-hexadecylcarbamimidoyl)amino]heptanedioic acid CAS Name: 4-[[amino(hexadecylimino)methyl]amino]-4-(2-carboxyethyl)heptanedioic acid IUPAC Name: 4-(2-carboxyethyl)-4-[(N'-hexadecylcarbamimidoyl)amino]heptanedioic acid Traditional Name: 4-(2-carboxyethyl)-4-[(N'-cetylamidino)amino]pimelic acid Formula: C27H51N3O6 MolecularWeight: 513.71034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN=C(N)NC(CCC(=O)O)(CCC(=O)O)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCN=C(N)NC(CCC(=O)O)(CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C27H51N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-29-26(28)30-27(19-16-23(31)32,20-17-24(33)34)21-18-25(35)36/h2-22H2,1H3,(H,31,32)(H,33,34)(H,35,36)(H3,28,29,30)