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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)NC(CCC(=O)O)C(=O)OCC1C(C(C(C(O1)OC(CC(=O)O)CC(=O)O)NC(=O)CCCCCCCNC(=O)C2=CC=CC=C2)OC(=O)CCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCC(=O)NC(CCC(=O)O)C(=O)OCC1C(C(C(C(O1)OC(CC(=O)O)CC(=O)O)NC(=O)CCCCCCCNC(=O)C2=CC=CC=C2)OC(=O)CCCCCCCCCCCCC)O

InChI

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