(2R,6S)-6-[1,1-bis(azanyl)-2-oxidanyl-2-oxidanylidene-ethyl]-2-(hexadecanoylamino)-5-oxidanylidene-decanedioic acid

Systemtic Name: (2R,6S)-6-[1,1-bis(azanyl)-2-oxidanyl-2-oxidanylidene-ethyl]-2-(hexadecanoylamino)-5-oxidanylidene-decanedioic acid Openeye Name: (2R,6S)-6-(1,1-diamino-2-hydroxy-2-oxo-ethyl)-2-(hexadecanoylamino)-5-oxo-decanedioic acid CAS Name: (2R,6S)-6-(1,1-diamino-2-hydroxy-2-oxoethyl)-5-oxo-2-(1-oxohexadecylamino)decanedioic acid IUPAC Name: (2R,6S)-6-(1,1-diamino-2-hydroxy-2-oxoethyl)-2-(hexadecanoylamino)-5-oxodecanedioic acid Traditional Name: (2R,6S)-6-(1,1-diamino-2-hydroxy-2-keto-ethyl)-5-keto-2-palmitamido-sebacic acid Formula: C28H51N3O8 MolecularWeight: 557.71984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(CCC(=O)C(CCCC(=O)O)C(C(=O)O)(N)N)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N[C@H](CCC(=O)[C@@H](CCCC(=O)O)C(C(=O)O)(N)N)C(=O)O

InChI

InChI=1S/C28H51N3O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24(33)31-22(26(36)37)19-20-23(32)21(16-15-18-25(34)35)28(29,30)27(38)39/h21-22H,2-20,29-30H2,1H3,(H,31,33)(H,34,35)(H,36,37)(H,38,39)/t21-,22-/m1/s1