3-[6-[[2-(8-benzamidooctanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]oxymethyl]-5-oxidanyl-3-(tetradecanoylamino)-4-tetradecanoyloxy-oxan-2-yl]oxypentanedioic acid

Systemtic Name: 3-[6-[[2-(8-benzamidooctanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]oxymethyl]-5-oxidanyl-3-(tetradecanoylamino)-4-tetradecanoyloxy-oxan-2-yl]oxypentanedioic acid Openeye Name: 3-[6-[[2-(8-benzamidooctanoylamino)-5-hydroxy-5-oxo-pentanoyl]oxymethyl]-5-hydroxy-3-(tetradecanoylamino)-4-tetradecanoyloxy-tetrahydropyran-2-yl]oxypentanedioic acid CAS Name: 3-[[6-[[2-[(8-benzamido-1-oxooctyl)amino]-5-hydroxy-1,5-dioxopentoxy]methyl]-5-hydroxy-4-(1-oxotetradecoxy)-3-(1-oxotetradecylamino)-2-oxanyl]oxy]pentanedioic acid IUPAC Name: 3-[6-[[2-(8-benzamidooctanoylamino)-5-hydroxy-5-oxopentanoyl]oxymethyl]-5-hydroxy-3-(tetradecanoylamino)-4-tetradecanoyloxyoxan-2-yl]oxypentanedioic acid Traditional Name: 3-[6-[[2-(8-benzamidooctanoylamino)-5-hydroxy-5-keto-pentanoyl]oxymethyl]-5-hydroxy-3-(tetradecanoylamino)-4-tetradecanoyloxy-tetrahydropyran-2-yl]oxyglutaric acid Formula: C59H97N3O16 MolecularWeight: 1104.41198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)NC1C(C(C(OC1OC(CC(=O)O)CC(=O)O)COC(=O)C(CCC(=O)O)NC(=O)CCCCCCCNC(=O)C2=CC=CC=C2)O)OC(=O)CCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCC(=O)NC1C(C(C(OC1OC(CC(=O)O)CC(=O)O)COC(=O)C(CCC(=O)O)NC(=O)CCCCCCCNC(=O)C2=CC=CC=C2)O)OC(=O)CCCCCCCCCCCCC

InChI

InChI=1S/C59H97N3O16/c1-3-5-7-9-11-13-15-17-19-22-30-36-49(64)62-54-56(78-53(71)37-31-24-20-18-16-14-12-10-8-6-4-2)55(72)47(77-59(54)76-45(41-51(67)68)42-52(69)70)43-75-58(74)46(38-39-50(65)66)61-48(63)35-29-23-21-25-32-40-60-57(73)44-33-27-26-28-34-44/h26-28,33-34,45-47,54-56,59,72H,3-25,29-32,35-43H2,1-2H3,(H,60,73)(H,61,63)(H,62,64)(H,65,66)(H,67,68)(H,69,70)