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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]-8'-[[[(2r)-2-hydroxy-2-phenylethyl]amino]-oxomethyl]-1',2-dioxo-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]-8'-[[[(2r)-2-hydroxy-2-phenylethyl]amino]-oxomethyl]-1',2-dioxo-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]-8'-[[[(2r)-2-hydroxy-2-phenylethyl]amino]-oxomethyl]-1',2-dioxo-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]-8'-[[[(2r)-2-hydroxy-2-phenylethyl]amino]-oxomethyl]-1',2-dioxo-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]-8'-[[[(2r)-2-hydroxy-2-phenylethyl]amino]-oxomethyl]-1',2-dioxo-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

  • C51H47N3O11

inchi

  • InChI=1S/C51H47N3O11/c1-62-47(58)36(48(59)63-2)23-14-15-31-25-26-38-37(29-31)51(50(61)53-38)41(46(57)52-30-39(56)32-16-6-3-7-17-32)43-49(60)65-44(34-20-10-5-11-21-34)42(33-18-8-4-9-19-33)54(43)45(51)35-22-12-13-24-40(35)64-28-27-55/h3-13,16-22,24-26,29,36,39,41-45,55-56H,23,27-28,30H2,1-2H3,(H,52,57)(H,53,61)/t39-,41-,42-,43-,44+,45+,51-/m0/s1

inchikey

  • KEZALDIRBVRQLC-XVLJERORSA-N

mass

  • 877.934

monoisotopicmass

  • 877.32106

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)NC[C@@H](C8=CC=CC=C8)O)C(=O)OC

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:94007

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