(2S)-2-[[(2S)-2-(dodecanoylamino)-4-oxidanyl-4-oxidanylidene-butanoyl]amino]butanedioic acid

Systemtic Name: (2S)-2-[[(2S)-2-(dodecanoylamino)-4-oxidanyl-4-oxidanylidene-butanoyl]amino]butanedioic acid Openeye Name: (2S)-2-[[(2S)-2-(dodecanoylamino)-4-hydroxy-4-oxo-butanoyl]amino]butanedioic acid CAS Name: (2S)-2-[[(2S)-4-hydroxy-1,4-dioxo-2-(1-oxododecylamino)butyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[(2S)-2-(dodecanoylamino)-4-hydroxy-4-oxobutanoyl]amino]butanedioic acid Traditional Name: (2S)-2-[[(2S)-4-hydroxy-4-keto-2-(lauroylamino)butanoyl]amino]succinic acid Formula: C20H34N2O8 MolecularWeight: 430.49256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C20H34N2O8/c1-2-3-4-5-6-7-8-9-10-11-16(23)21-14(12-17(24)25)19(28)22-15(20(29)30)13-18(26)27/h14-15H,2-13H2,1H3,(H,21,23)(H,22,28)(H,24,25)(H,26,27)(H,29,30)/t14-,15-/m0/s1