(4R)-4-[[(2R)-3-[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-(2-tridecylhexadecanoylamino)propanoyl]amino]-5-(methylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: (4R)-4-[[(2R)-3-[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-(2-tridecylhexadecanoylamino)propanoyl]amino]-5-(methylamino)-5-oxidanylidene-pentanoic acid Openeye Name: (4R)-5-(methylamino)-5-oxo-4-[[(2R)-2-(2-tridecylhexadecanoylamino)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-propanoyl]amino]pentanoic acid CAS Name: (4R)-5-(methylamino)-5-oxo-4-[[(2R)-1-oxo-2-[(1-oxo-2-tridecylhexadecyl)amino]-3-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]propyl]amino]pentanoic acid IUPAC Name: (4R)-5-(methylamino)-5-oxo-4-[[(2R)-2-(2-tridecylhexadecanoylamino)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoyl]amino]pentanoic acid Traditional Name: (4R)-5-keto-5-(methylamino)-4-[[(2R)-2-(2-tridecylhexadecanoylamino)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-propanoyl]amino]valeric acid Formula: C44H83N3O11 MolecularWeight: 830.14332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CCCCCCCCCCCCC)C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(=O)NC(CCC(=O)O)C(=O)NC

Isomeric SMILES

CCCCCCCCCCCCCCC(CCCCCCCCCCCCC)C(=O)N[C@H](CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)N[C@H](CCC(=O)O)C(=O)NC

InChI

InChI=1S/C44H83N3O11/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-33(27-25-23-21-19-17-15-13-11-9-7-5-2)41(54)47-35(43(56)46-34(42(55)45-3)29-30-37(49)50)32-57-44-40(53)39(52)38(51)36(31-48)58-44/h33-36,38-40,44,48,51-53H,4-32H2,1-3H3,(H,45,55)(H,46,56)(H,47,54)(H,49,50)/t33?,34-,35-,36-,38-,39+,40+,44+/m1/s1