[3-[(1Z,3Z,9E)-8-(2-azanylethyl)-10-(2-ethyl-5-oxidanylidene-cyclohex-3-en-1-yl)-5,8-bis(oxidanyl)-7-phosphonooxy-deca-1,3,9-trienyl]cyclohexyl] 4-methylpentanoate

Systemtic Name: [3-[(1Z,3Z,9E)-8-(2-azanylethyl)-10-(2-ethyl-5-oxidanylidene-cyclohex-3-en-1-yl)-5,8-bis(oxidanyl)-7-phosphonooxy-deca-1,3,9-trienyl]cyclohexyl] 4-methylpentanoate Openeye Name: [3-[(1Z,3Z,9E)-8-(2-aminoethyl)-10-(2-ethyl-5-oxo-cyclohex-3-en-1-yl)-5,8-dihydroxy-7-phosphonooxy-deca-1,3,9-trienyl]cyclohexyl] 4-methylpentanoate CAS Name: 4-methylpentanoic acid [3-[(1Z,3Z,9E)-8-(2-aminoethyl)-10-(2-ethyl-5-oxo-1-cyclohex-3-enyl)-5,8-dihydroxy-7-phosphonooxydeca-1,3,9-trienyl]cyclohexyl] ester IUPAC Name: [3-[(1Z,3Z,9E)-8-(2-aminoethyl)-10-(2-ethyl-5-oxocyclohex-3-en-1-yl)-5,8-dihydroxy-7-phosphonooxydeca-1,3,9-trienyl]cyclohexyl] 4-methylpentanoate Traditional Name: 4-methylvaleric acid [3-[(1Z,3Z,9E)-8-(2-aminoethyl)-10-(2-ethyl-5-keto-cyclohex-3-en-1-yl)-5,8-dihydroxy-7-phosphonooxy-deca-1,3,9-trienyl]cyclohexyl] ester Formula: C32H52NO9P MolecularWeight: 625.730341

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C=CC(=O)CC1C=CC(CCN)(C(CC(C=CC=CC2CCCC(C2)OC(=O)CCC(C)C)O)OP(=O)(O)O)O

Isomeric SMILES

CCC1C=CC(=O)CC1/C=C/C(CCN)(C(CC(/C=C\C=C/C2CCCC(C2)OC(=O)CCC(C)C)O)OP(=O)(O)O)O

InChI

InChI=1S/C32H52NO9P/c1-4-25-13-14-28(35)21-26(25)16-17-32(37,18-19-33)30(42-43(38,39)40)22-27(34)10-6-5-8-24-9-7-11-29(20-24)41-31(36)15-12-23(2)3/h5-6,8,10,13-14,16-17,23-27,29-30,34,37H,4,7,9,11-12,15,18-22,33H2,1-3H3,(H2,38,39,40)/b8-5-,10-6-,17-16+