4-[2-[2-[5-acetamido-2-(3-dodecanoyloxytetradecanoyloxymethyl)-3-oxidanyl-6-tetradecanoyloxy-oxan-4-yl]oxypropanoylamino]propanoylamino]-5-azanyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[2-[2-[5-acetamido-2-(3-dodecanoyloxytetradecanoyloxymethyl)-3-oxidanyl-6-tetradecanoyloxy-oxan-4-yl]oxypropanoylamino]propanoylamino]-5-azanyl-5-oxidanylidene-pentanoic acid Openeye Name: 4-[2-[2-[5-acetamido-2-(3-dodecanoyloxytetradecanoyloxymethyl)-3-hydroxy-6-tetradecanoyloxy-tetrahydropyran-4-yl]oxypropanoylamino]propanoylamino]-5-amino-5-oxo-pentanoic acid CAS Name: 4-[[2-[[2-[[5-acetamido-3-hydroxy-2-[[1-oxo-3-(1-oxododecoxy)tetradecoxy]methyl]-6-(1-oxotetradecoxy)-4-oxanyl]oxy]-1-oxopropyl]amino]-1-oxopropyl]amino]-5-amino-5-oxopentanoic acid IUPAC Name: 4-[2-[2-[5-acetamido-2-(3-dodecanoyloxytetradecanoyloxymethyl)-3-hydroxy-6-tetradecanoyloxyoxan-4-yl]oxypropanoylamino]propanoylamino]-5-amino-5-oxopentanoic acid Traditional Name: 4-[2-[2-[5-acetamido-3-hydroxy-2-(3-lauroyloxytetradecanoyloxymethyl)-6-tetradecanoyloxy-tetrahydropyran-4-yl]oxypropanoylamino]propanoylamino]-5-amino-5-keto-valeric acid Formula: C59H106N4O15 MolecularWeight: 1111.49074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OC1C(C(C(C(O1)COC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O)OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N)NC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OC1C(C(C(C(O1)COC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O)OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N)NC(=O)C

InChI

InChI=1S/C59H106N4O15/c1-7-10-13-16-19-22-23-26-29-32-35-38-51(68)78-59-53(62-45(6)64)55(75-44(5)58(73)61-43(4)57(72)63-47(56(60)71)39-40-49(65)66)54(70)48(77-59)42-74-52(69)41-46(36-33-30-27-24-20-17-14-11-8-2)76-50(67)37-34-31-28-25-21-18-15-12-9-3/h43-44,46-48,53-55,59,70H,7-42H2,1-6H3,(H2,60,71)(H,61,73)(H,62,64)(H,63,72)(H,65,66)