[3-[2-[2-[2-[5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropyl-[5-azanyl-4-(2-azanylpropanoylamino)-5-oxidanylidene-pentanoyl]amino]propanoylamino]ethoxy-oxidanyl-phosphoryl]oxy-2-oxidanyl-propyl] hexadecanoate

Systemtic Name: [3-[2-[2-[2-[5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropyl-[5-azanyl-4-(2-azanylpropanoylamino)-5-oxidanylidene-pentanoyl]amino]propanoylamino]ethoxy-oxidanyl-phosphoryl]oxy-2-oxidanyl-propyl] hexadecanoate Openeye Name: [3-[2-[2-[2-[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropyl-[5-amino-4-(2-aminopropanoylamino)-5-oxo-pentanoyl]amino]propanoylamino]ethoxy-hydroxy-phosphoryl]oxy-2-hydroxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [3-[2-[[2-[2-[[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]propyl-[5-amino-4-[(2-amino-1-oxopropyl)amino]-1,5-dioxopentyl]amino]-1-oxopropyl]amino]ethoxy-hydroxyphosphoryl]oxy-2-hydroxypropyl] ester IUPAC Name: [3-[2-[2-[2-[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropyl-[5-amino-4-(2-aminopropanoylamino)-5-oxopentanoyl]amino]propanoylamino]ethoxy-hydroxyphosphoryl]oxy-2-hydroxypropyl] hexadecanoate Traditional Name: palmitic acid [3-[2-[2-[2-(3-acetamido-2,5-dihydroxy-6-methylol-tetrahydropyran-4-yl)oxypropyl-[4-(alanylamino)-5-amino-5-keto-pentanoyl]amino]propanoylamino]ethoxy-hydroxy-phosphoryl]oxy-2-hydroxy-propyl] ester Formula: C43H81N6O17P MolecularWeight: 985.107001

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)C(C)N(CC(C)OC1C(C(OC(C1O)CO)O)NC(=O)C)C(=O)CCC(C(=O)N)NC(=O)C(C)N)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)C(C)N(CC(C)OC1C(C(OC(C1O)CO)O)NC(=O)C)C(=O)CCC(C(=O)N)NC(=O)C(C)N)O

InChI

InChI=1S/C43H81N6O17P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-36(54)62-26-32(52)27-64-67(60,61)63-23-22-46-42(58)30(4)49(35(53)21-20-33(40(45)56)48-41(57)29(3)44)24-28(2)65-39-37(47-31(5)51)43(59)66-34(25-50)38(39)55/h28-30,32-34,37-39,43,50,52,55,59H,6-27,44H2,1-5H3,(H2,45,56)(H,46,58)(H,47,51)(H,48,57)(H,60,61)