methyl (2S)-2-azanyl-3-[[(2R)-2-(hexadecanoylamino)-3-hexadecoxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoate

Systemtic Name: methyl (2S)-2-azanyl-3-[[(2R)-2-(hexadecanoylamino)-3-hexadecoxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoate Openeye Name: methyl (2S)-2-amino-3-[[(2R)-2-(hexadecanoylamino)-3-hexadecoxy-propoxy]-hydroxy-phosphoryl]oxy-propanoate CAS Name: (2S)-2-amino-3-[[(2R)-3-hexadecoxy-2-(1-oxohexadecylamino)propoxy]-hydroxyphosphoryl]oxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-amino-3-[[(2R)-2-(hexadecanoylamino)-3-hexadecoxypropoxy]-hydroxyphosphoryl]oxypropanoate Traditional Name: (2S)-2-amino-3-[[(2R)-3-cetyloxy-2-palmitamido-propoxy]-hydroxy-phosphoryl]oxy-propionic acid methyl ester Formula: C39H79N2O8P MolecularWeight: 735.026921

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC(C(=O)OC)N)NC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC[C@@H](C(=O)OC)N)NC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C39H79N2O8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-47-33-36(34-48-50(44,45)49-35-37(40)39(43)46-3)41-38(42)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h36-37H,4-35,40H2,1-3H3,(H,41,42)(H,44,45)/t36-,37+/m1/s1