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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > olefinic compound > stilbenoid > 2-[3-[(3r,3'r,4's,6'r,8's,8'as)-6'-[2-(2-hydroxyethoxy)phenyl]-1',2-dioxo-8'-[oxo-(prop-2-enylamino)methyl]-3',4'-diphenyl-5-spiro[1h-indole-3,7'-4,6,8,8a-tetrahydro-3h-pyrrolo[2,1-c][1,4]oxazine]yl]prop-2-ynyl]propanedioic acid dimethyl ester
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > stilbenoid > 2-[3-[(3r,3'r,4's,6'r,8's,8'as)-6'-[2-(2-hydroxyethoxy)phenyl]-1',2-dioxo-8'-[oxo-(prop-2-enylamino)methyl]-3',4'-diphenyl-5-spiro[1h-indole-3,7'-4,6,8,8a-tetrahydro-3h-pyrrolo[2,1-c][1,4]oxazine]yl]prop-2-ynyl]propanedioic acid dimethyl ester
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > stilbenoid > 2-[3-[(3r,3'r,4's,6'r,8's,8'as)-6'-[2-(2-hydroxyethoxy)phenyl]-1',2-dioxo-8'-[oxo-(prop-2-enylamino)methyl]-3',4'-diphenyl-5-spiro[1h-indole-3,7'-4,6,8,8a-tetrahydro-3h-pyrrolo[2,1-c][1,4]oxazine]yl]prop-2-ynyl]propanedioic acid dimethyl ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > stilbenoid > 2-[3-[(3r,3'r,4's,6'r,8's,8'as)-6'-[2-(2-hydroxyethoxy)phenyl]-1',2-dioxo-8'-[oxo-(prop-2-enylamino)methyl]-3',4'-diphenyl-5-spiro[1h-indole-3,7'-4,6,8,8a-tetrahydro-3h-pyrrolo[2,1-c][1,4]oxazine]yl]prop-2-ynyl]propanedioic acid dimethyl ester

Preferred term

2-[3-[(3r,3'r,4's,6'r,8's,8'as)-6'-[2-(2-hydroxyethoxy)phenyl]-1',2-dioxo-8'-[oxo-(prop-2-enylamino)methyl]-3',4'-diphenyl-5-spiro[1h-indole-3,7'-4,6,8,8a-tetrahydro-3h-pyrrolo[2,1-c][1,4]oxazine]yl]prop-2-ynyl]propanedioic acid dimethyl ester  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C46H43N3O10

inchi

  • InChI=1S/C46H43N3O10/c1-4-24-47-41(51)36-38-44(54)59-39(30-17-9-6-10-18-30)37(29-15-7-5-8-16-29)49(38)40(31-19-11-12-21-35(31)58-26-25-50)46(36)33-27-28(22-23-34(33)48-45(46)55)14-13-20-32(42(52)56-2)43(53)57-3/h4-12,15-19,21-23,27,32,36-40,50H,1,20,24-26H2,2-3H3,(H,47,51)(H,48,55)/t36-,37-,38-,39+,40+,46-/m0/s1

inchikey

  • UKEFKMJMFRIXER-YPLGXPHSSA-N

mass

  • 797.849

monoisotopicmass

  • 797.29484

smiles

  • COC(=O)C(CC#CC1=CC2=C(C=C1)NC(=O)[C@]23[C@@H]([C@H]4C(=O)O[C@@H]([C@@H](N4[C@@H]3C5=CC=CC=C5OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)NCC=C)C(=O)OC

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:94029

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