2-azanyl-3-[[2-[6-[(4-nitro-1,3-dihydro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyloxy]-3-[(E)-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid

Systemtic Name: 2-azanyl-3-[[2-[6-[(4-nitro-1,3-dihydro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyloxy]-3-[(E)-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid Openeye Name: 2-amino-3-[hydroxy-[2-[6-[(4-nitro-1,3-dihydro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyloxy]-3-[(E)-octadec-9-enoyl]oxy-propoxy]phosphoryl]oxy-propanoic acid CAS Name: 2-amino-3-[hydroxy-[2-[6-[(4-nitro-1,3-dihydro-2,1,3-benzoxadiazol-7-yl)amino]-1-oxohexoxy]-3-[(E)-1-oxooctadec-9-enoxy]propoxy]phosphoryl]oxypropanoic acid IUPAC Name: 2-amino-3-[hydroxy-[2-[6-[(4-nitro-1,3-dihydro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyloxy]-3-[(E)-octadec-9-enoyl]oxypropoxy]phosphoryl]oxypropanoic acid Traditional Name: 2-amino-3-[hydroxy-[2-[6-[(7-nitro-1,3-dihydrobenzofurazan-4-yl)amino]hexanoyloxy]-3-[(E)-octadec-9-enoyl]oxy-propoxy]phosphoryl]oxy-propionic acid Formula: C36H60N5O13P MolecularWeight: 801.861061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCCNC1=C2C(=C(C=C1)[N+](=O)[O-])NON2

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCCNC1=C2C(=C(C=C1)[N+](=O)[O-])NON2

InChI

InChI=1S/C36H60N5O13P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-32(42)50-25-28(26-51-55(48,49)52-27-29(37)36(44)45)53-33(43)21-18-16-19-24-38-30-22-23-31(41(46)47)35-34(30)39-54-40-35/h9-10,22-23,28-29,38-40H,2-8,11-21,24-27,37H2,1H3,(H,44,45)(H,48,49)/b10-9+