[(2R)-3-[(4R)-4-[[(2S)-2-[[(2R)-2-[(2R,3S,4R,5R)-5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropanoyl]amino]-6-azanyl-hexanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoyl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate

Systemtic Name: [(2R)-3-[(4R)-4-[[(2S)-2-[[(2R)-2-[(2R,3S,4R,5R)-5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropanoyl]amino]-6-azanyl-hexanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoyl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate Openeye Name: [(2R)-3-[(4R)-4-[[(2S)-2-[[(2R)-2-[(3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropanoyl]amino]-6-amino-hexanoyl]amino]-5-amino-5-oxo-pentanoyl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [(2R)-3-[(4R)-4-[[(2S)-2-[[(2R)-2-[[(3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-1-oxopropyl]amino]-6-amino-1-oxohexyl]amino]-5-amino-1,5-dioxopentoxy]-2-(1-oxohexadecoxy)propyl] ester IUPAC Name: [(2R)-3-[(4R)-4-[[(2S)-2-[[(2R)-2-[(3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]-6-aminohexanoyl]amino]-5-amino-5-oxopentanoyl]oxy-2-hexadecanoyloxypropyl] hexadecanoate Traditional Name: palmitic acid [(2R)-3-[(4R)-4-[[(2S)-2-[[(2R)-2-[(3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-methylol-tetrahydropyran-4-yl]oxypropanoyl]amino]-6-amino-hexanoyl]amino]-5-amino-5-keto-pentanoyl]oxy-2-hexadecanoyloxy-propyl] ester Formula: C57H105N5O15 MolecularWeight: 1100.4681

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC(C(=O)N)NC(=O)C(CCCCN)NC(=O)C(C)OC1C(C(OC(C1O)CO)O)NC(=O)C)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CC[C@H](C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](C)O[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)C)O)CO)O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C57H105N5O15/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-34-48(65)73-40-44(76-50(67)35-30-28-26-24-22-20-18-16-14-12-10-8-6-2)41-74-49(66)37-36-45(54(59)69)61-56(71)46(33-31-32-38-58)62-55(70)42(3)75-53-51(60-43(4)64)57(72)77-47(39-63)52(53)68/h42,44-47,51-53,57,63,68,72H,5-41,58H2,1-4H3,(H2,59,69)(H,60,64)(H,61,71)(H,62,70)/t42-,44-,45-,46+,47-,51-,52-,53-,57?/m1/s1