[(2R,3R,4R,5R,6S)-5-[[(3R)-3-(6-azanylhexanoyloxy)tetradecanoyl]amino]-2-[[2-[(2R,3R,4R,5S)-2-(hydroxymethyl)-3,4-bis(oxidanyl)-5-(tetradecanoylamino)piperidin-1-yl]ethanoylamino]methyl]-6-methoxy-3-oxidanyl-oxan-4-yl] tetradecanoate

Systemtic Name: [(2R,3R,4R,5R,6S)-5-[[(3R)-3-(6-azanylhexanoyloxy)tetradecanoyl]amino]-2-[[2-[(2R,3R,4R,5S)-2-(hydroxymethyl)-3,4-bis(oxidanyl)-5-(tetradecanoylamino)piperidin-1-yl]ethanoylamino]methyl]-6-methoxy-3-oxidanyl-oxan-4-yl] tetradecanoate Openeye Name: [(2R,3R,4R,5R,6S)-5-[[(3R)-3-(6-aminohexanoyloxy)tetradecanoyl]amino]-2-[[[2-[(2R,3R,4R,5S)-3,4-dihydroxy-2-(hydroxymethyl)-5-(tetradecanoylamino)-1-piperidyl]acetyl]amino]methyl]-3-hydroxy-6-methoxy-tetrahydropyran-4-yl] tetradecanoate CAS Name: tetradecanoic acid [(2R,3R,4R,5R,6S)-5-[[(3R)-3-(6-amino-1-oxohexoxy)-1-oxotetradecyl]amino]-2-[[[2-[(2R,3R,4R,5S)-3,4-dihydroxy-2-(hydroxymethyl)-5-(1-oxotetradecylamino)-1-piperidinyl]-1-oxoethyl]amino]methyl]-3-hydroxy-6-methoxy-4-oxanyl] ester IUPAC Name: [(2R,3R,4R,5R,6S)-5-[[(3R)-3-(6-aminohexanoyloxy)tetradecanoyl]amino]-2-[[[2-[(2R,3R,4R,5S)-3,4-dihydroxy-2-(hydroxymethyl)-5-(tetradecanoylamino)piperidin-1-yl]acetyl]amino]methyl]-3-hydroxy-6-methoxyoxan-4-yl] tetradecanoate Traditional Name: myristic acid [(2R,3R,4R,5R,6S)-5-[[(3R)-3-(6-aminohexanoyloxy)tetradecanoyl]amino]-2-[[[2-[(2R,3R,4R,5S)-3,4-dihydroxy-2-methylol-5-(tetradecanoylamino)piperidino]acetyl]amino]methyl]-3-hydroxy-6-methoxy-tetrahydropyran-4-yl] ester Formula: C63H119N5O13 MolecularWeight: 1154.64466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)NC1CN(C(C(C1O)O)CO)CC(=O)NCC2C(C(C(C(O2)OC)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCN)OC(=O)CCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCC(=O)N[C@H]1CN([C@@H]([C@H]([C@@H]1O)O)CO)CC(=O)NC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCN)OC(=O)CCCCCCCCCCCCC)O

InChI

InChI=1S/C63H119N5O13/c1-5-8-11-14-17-20-22-25-28-31-35-40-53(70)66-50-46-68(51(48-69)60(76)59(50)75)47-55(72)65-45-52-61(77)62(81-57(74)42-36-32-29-26-23-21-18-15-12-9-6-2)58(63(78-4)80-52)67-54(71)44-49(79-56(73)41-37-33-38-43-64)39-34-30-27-24-19-16-13-10-7-3/h49-52,58-63,69,75-77H,5-48,64H2,1-4H3,(H,65,72)(H,66,70)(H,67,71)/t49-,50+,51-,52-,58-,59-,60-,61-,62-,63+/m1/s1