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

Systemtic Name: 4-[2-[2-[3-acetamido-5-oxidanyl-2-tetradecanoyloxy-6-(3-tetradecanoyloxytetradecanoyloxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-5-azanyl-5-oxidanylidene-pentanoic acid Openeye Name: 4-[2-[2-[3-acetamido-5-hydroxy-2-tetradecanoyloxy-6-(3-tetradecanoyloxytetradecanoyloxymethyl)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-oxotetradecoxy)tetradecoxy]methyl]-6-(1-oxotetradecoxy)-4-oxanyl]oxy]-1-oxopropyl]amino]-1-oxopropyl]amino]-5-amino-5-oxopentanoic acid IUPAC Name: 4-[2-[2-[3-acetamido-5-hydroxy-2-tetradecanoyloxy-6-(3-tetradecanoyloxytetradecanoyloxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-5-amino-5-oxopentanoic acid Traditional Name: 4-[2-[2-[3-acetamido-5-hydroxy-2-tetradecanoyloxy-6-(3-tetradecanoyloxytetradecanoyloxymethyl)tetrahydropyran-4-yl]oxypropanoylamino]propanoylamino]-5-amino-5-keto-valeric acid Formula: C61H110N4O15 MolecularWeight: 1139.5439

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C61H110N4O15/c1-7-10-13-16-19-22-24-27-30-33-36-39-52(69)78-48(38-35-32-29-26-21-18-15-12-9-3)43-54(71)76-44-50-56(72)57(77-46(5)60(75)63-45(4)59(74)65-49(58(62)73)41-42-51(67)68)55(64-47(6)66)61(79-50)80-53(70)40-37-34-31-28-25-23-20-17-14-11-8-2/h45-46,48-50,55-57,61,72H,7-44H2,1-6H3,(H2,62,73)(H,63,75)(H,64,66)(H,65,74)(H,67,68)