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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-[(3s,3's,4'r,6's,8'r,8'ar)-6'-[2-(2-hydroxyethoxy)phenyl]-1',2-dioxo-8'-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]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-[(3s,3's,4'r,6's,8'r,8'ar)-6'-[2-(2-hydroxyethoxy)phenyl]-1',2-dioxo-8'-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]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-[(3s,3's,4'r,6's,8'r,8'ar)-6'-[2-(2-hydroxyethoxy)phenyl]-1',2-dioxo-8'-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]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-[(3s,3's,4'r,6's,8'r,8'ar)-6'-[2-(2-hydroxyethoxy)phenyl]-1',2-dioxo-8'-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]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-[(3s,3's,4'r,6's,8'r,8'ar)-6'-[2-(2-hydroxyethoxy)phenyl]-1',2-dioxo-8'-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]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

  • C51H48N6O10

inchi

  • InChI=1S/C51H48N6O10/c1-64-46(60)36(47(61)65-2)19-11-13-32-21-22-38-37(31-32)51(49(63)54-38)40(45(59)55-25-27-56(28-26-55)50-52-23-12-24-53-50)42-48(62)67-43(34-16-7-4-8-17-34)41(33-14-5-3-6-15-33)57(42)44(51)35-18-9-10-20-39(35)66-30-29-58/h3-10,12,14-18,20-24,31,36,40-44,58H,19,25-30H2,1-2H3,(H,54,63)/t40-,41-,42-,43+,44+,51-/m1/s1

inchikey

  • SIAMCPDTZJAYRI-XDWJUNQNSA-N

mass

  • 904.963

monoisotopicmass

  • 904.34319

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)N8CCN(CC8)C9=NC=CC=N9)C(=O)OC

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:94110

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