6-[1,1-bis(azanyl)-2-oxidanylidene-2-piperidin-4-ylcarbonyloxy-ethyl]-2-(heptanoylamino)-5-oxidanylidene-decanedioic acid

Systemtic Name: 6-[1,1-bis(azanyl)-2-oxidanylidene-2-piperidin-4-ylcarbonyloxy-ethyl]-2-(heptanoylamino)-5-oxidanylidene-decanedioic acid Openeye Name: 6-[1,1-diamino-2-oxo-2-(piperidine-4-carbonyloxy)ethyl]-2-(heptanoylamino)-5-oxo-decanedioic acid CAS Name: 6-[1,1-diamino-2-oxo-2-[oxo(4-piperidinyl)methoxy]ethyl]-5-oxo-2-(1-oxoheptylamino)decanedioic acid IUPAC Name: 6-[1,1-diamino-2-oxo-2-(piperidine-4-carbonyloxy)ethyl]-2-(heptanoylamino)-5-oxodecanedioic acid Traditional Name: 6-(1,1-diamino-2-isonipecotoyloxy-2-keto-ethyl)-2-(enanthylamino)-5-keto-sebacic acid Formula: C25H42N4O9 MolecularWeight: 542.62238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC(CCC(=O)C(CCCC(=O)O)C(C(=O)OC(=O)C1CCNCC1)(N)N)C(=O)O

Isomeric SMILES

CCCCCCC(=O)NC(CCC(=O)C(CCCC(=O)O)C(C(=O)OC(=O)C1CCNCC1)(N)N)C(=O)O

InChI

InChI=1S/C25H42N4O9/c1-2-3-4-5-8-20(31)29-18(22(34)35)10-11-19(30)17(7-6-9-21(32)33)25(26,27)24(37)38-23(36)16-12-14-28-15-13-16/h16-18,28H,2-15,26-27H2,1H3,(H,29,31)(H,32,33)(H,34,35)