CHEBI:93968 - 2-[3-[(3S,4R,6S,7S,8R,8aR)-6-[4-(2-hydroxyethoxy)phenyl]-1'-[2-methoxyethoxy(oxo)methyl]-1,2'-dioxo-8-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3,4-diphenyl-5'-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]yl]prop-2-ynyl]propanedioic acid dimethyl ester

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ChEBI Name 2-[3-[(3S,4R,6S,7S,8R,8aR)-6-[4-(2-hydroxyethoxy)phenyl]-1'-[2-methoxyethoxy(oxo)methyl]-1,2'-dioxo-8-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3,4-diphenyl-5'-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]yl]prop-2-ynyl]propanedioic acid dimethyl ester ChEBI ID CHEBI:93968 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C55H54N6O13 Net Charge 0 Average Mass 1007.052 Monoisotopic Mass 1006.37489 InChI InChI=1S/C55H54N6O13/c1-69-32-33-73-54(68)60-42-23-18-35(12-10-17-40(49(64)70-2)50(65)71-3)34-41(42)55(52(60)67)43(48(63)58-26-28-59(29-27-58)53-56-24-11-25-57-53)45-51(66)74-46(37-15-8-5-9-16-37)44(36-13-6-4-7-14-36)61(45)47(55)38-19-21-39(22-20-38)72-31-30-62/h4-9,11,13-16,18-25,34,40,43-47,62H,17,26-33H2,1-3H3/t43-,44-,45-,46+,47+,55-/m1/s1 InChIKey IUBJJZDGPMLHDU-DFSPRCJXSA-N SMILES COCCOC(=O)N1C2=C(C=C(C=C2)C#CCC(C(=O)OC)C(=O)OC)[C@@]3(C1=O)[C@H]([C@@H]4C(=O)O[C@H]([C@H](N4[C@H]3C5=CC=C(C=C5)OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N8CCN(CC8)C9=NC=CC=N9 ChEBI Ontology Outgoing 2-[3-[(3S,4R,6S,7S,8R,8aR)-6-[4-(2-hydroxyethoxy)phenyl]-1'-[2-methoxyethoxy(oxo)methyl]-1,2'-dioxo-8-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3,4-diphenyl-5'-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]yl]prop-2-ynyl]propanedioic acid dimethyl ester (CHEBI:93968) is a stilbenoid (CHEBI:26776) Manual Xref Database LSM-4552 LINCS View more database links Last Modified 03 March 2016