(2R)-5-azanyl-2-[[(2S)-2-[2-[(2R,3S,4R,5R,6S)-5-(hexadecanoylamino)-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2R)-5-azanyl-2-[[(2S)-2-[2-[(2R,3S,4R,5R,6S)-5-(hexadecanoylamino)-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2R)-5-amino-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-(hexadecanoylamino)-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropanoylamino]propanoyl]amino]-5-oxo-pentanoic acid CAS Name: (2R)-5-amino-2-[[(2S)-2-[[2-[[(2S,3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-3-(1-oxohexadecylamino)-4-oxanyl]oxy]-1-oxopropyl]amino]-1-oxopropyl]amino]-5-oxopentanoic acid IUPAC Name: (2R)-5-amino-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-(hexadecanoylamino)-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-oxopentanoic acid Traditional Name: (2R)-5-amino-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-2,5-dihydroxy-6-methylol-3-palmitamido-tetrahydropyran-4-yl]oxypropanoylamino]propanoyl]amino]-5-keto-valeric acid Formula: C33H60N4O11 MolecularWeight: 688.8497

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1C(C(C(OC1O)CO)O)OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)N)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)OC(C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N)C(=O)O

InChI

InChI=1S/C33H60N4O11/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(40)37-27-29(28(41)24(20-38)48-33(27)46)47-22(3)31(43)35-21(2)30(42)36-23(32(44)45)18-19-25(34)39/h21-24,27-29,33,38,41,46H,4-20H2,1-3H3,(H2,34,39)(H,35,43)(H,36,42)(H,37,40)(H,44,45)/t21-,22?,23+,24+,27+,28+,29+,33-/m0/s1