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

Systemtic Name: 4-[2-[2-[5-acetamido-2-(3-hexadecanoyloxytetradecanoyloxymethyl)-3-oxidanyl-6-tetradecanoyloxy-oxan-4-yl]oxypropanoylamino]propanoylamino]-5-azanyl-5-oxidanylidene-pentanoic acid Openeye Name: 4-[2-[2-[5-acetamido-2-(3-hexadecanoyloxytetradecanoyloxymethyl)-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-oxohexadecoxy)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-hexadecanoyloxytetradecanoyloxymethyl)-3-hydroxy-6-tetradecanoyloxyoxan-4-yl]oxypropanoylamino]propanoylamino]-5-amino-5-oxopentanoic acid Traditional Name: 4-[2-[2-[5-acetamido-2-(3-hexadecanoyloxytetradecanoyloxymethyl)-3-hydroxy-6-tetradecanoyloxy-tetrahydropyran-4-yl]oxypropanoylamino]propanoylamino]-5-amino-5-keto-valeric acid Formula: C63H114N4O15 MolecularWeight: 1167.59706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OCC1C(C(C(C(O1)OC(=O)CCCCCCCCCCCCC)NC(=O)C)OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OCC1C(C(C(C(O1)OC(=O)CCCCCCCCCCCCC)NC(=O)C)OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N)O

InChI

InChI=1S/C63H114N4O15/c1-7-10-13-16-19-22-24-25-27-30-32-35-38-41-54(71)80-50(40-37-34-31-28-21-18-15-12-9-3)45-56(73)78-46-52-58(74)59(79-48(5)62(77)65-47(4)61(76)67-51(60(64)75)43-44-53(69)70)57(66-49(6)68)63(81-52)82-55(72)42-39-36-33-29-26-23-20-17-14-11-8-2/h47-48,50-52,57-59,63,74H,7-46H2,1-6H3,(H2,64,75)(H,65,77)(H,66,68)(H,67,76)(H,69,70)