2-[2-[[3-[(3-carboxy-5-ethoxy-3-oxidanyl-5-oxidanylidene-pentanoyl)-dodecyl-amino]-2-oxidanyl-propyl]-dodecyl-amino]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid

Systemtic Name: 2-[2-[[3-[(3-carboxy-5-ethoxy-3-oxidanyl-5-oxidanylidene-pentanoyl)-dodecyl-amino]-2-oxidanyl-propyl]-dodecyl-amino]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid Openeye Name: 2-[2-[[3-[(3-carboxy-5-ethoxy-3-hydroxy-5-oxo-pentanoyl)-dodecyl-amino]-2-hydroxy-propyl]-dodecyl-amino]-2-oxo-ethyl]-2-hydroxy-butanedioic acid CAS Name: 2-[2-[[3-[(3-carboxy-5-ethoxy-3-hydroxy-1,5-dioxopentyl)-dodecylamino]-2-hydroxypropyl]-dodecylamino]-2-oxoethyl]-2-hydroxybutanedioic acid IUPAC Name: 2-[2-[[3-[(3-carboxy-5-ethoxy-3-hydroxy-5-oxopentanoyl)-dodecylamino]-2-hydroxypropyl]-dodecylamino]-2-oxoethyl]-2-hydroxybutanedioic acid Traditional Name: 2-[2-[[3-[(3-carboxy-5-ethoxy-3-hydroxy-5-keto-pentanoyl)-lauryl-amino]-2-hydroxy-propyl]-lauryl-amino]-2-keto-ethyl]-2-hydroxy-succinic acid Formula: C41H74N2O13 MolecularWeight: 803.03186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN(CC(CN(CCCCCCCCCCCC)C(=O)CC(CC(=O)OCC)(C(=O)O)O)O)C(=O)CC(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCN(CC(CN(CCCCCCCCCCCC)C(=O)CC(CC(=O)OCC)(C(=O)O)O)O)C(=O)CC(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C41H74N2O13/c1-4-7-9-11-13-15-17-19-21-23-25-42(34(45)27-40(54,38(50)51)29-36(47)48)31-33(44)32-43(26-24-22-20-18-16-14-12-10-8-5-2)35(46)28-41(55,39(52)53)30-37(49)56-6-3/h33,44,54-55H,4-32H2,1-3H3,(H,47,48)(H,50,51)(H,52,53)