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Chemistry, part 1

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Concept information

organic aromatic compound > aromatic amine > 2-methyl-2-propanyl (2r,3s)-3-/{benzyl[(1r)-1-phenylethyl]amino/}-2-(cyanomethyl)-3-[2-(diallylamino)phenyl]propanoate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > aromatic amine > 2-methyl-2-propanyl (2r,3s)-3-/{benzyl[(1r)-1-phenylethyl]amino/}-2-(cyanomethyl)-3-[2-(diallylamino)phenyl]propanoate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > aromatic amine > 2-methyl-2-propanyl (2r,3s)-3-/{benzyl[(1r)-1-phenylethyl]amino/}-2-(cyanomethyl)-3-[2-(diallylamino)phenyl]propanoate

Preferred term

2-methyl-2-propanyl (2r,3s)-3-/{benzyl[(1r)-1-phenylethyl]amino/}-2-(cyanomethyl)-3-[2-(diallylamino)phenyl]propanoate  

Type

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

Broader concept

charge

  • 0

formula

  • C36H43N3O2

inchi

  • InChI=1S/C36H43N3O2/c1-7-25-38(26-8-2)33-22-16-15-21-31(33)34(32(23-24-37)35(40)41-36(4,5)6)39(27-29-17-11-9-12-18-29)28(3)30-19-13-10-14-20-30/h7-22,28,32,34H,1-2,23,25-27H2,3-6H3/t28-,32-,34-/m1/s1

inchikey

  • NARGBLIJCBBGPN-KYACCQSZSA-N

mass

  • 549.759

monoisotopicmass

  • 549.33553

smiles

  • O(C(=O)[C@@H]([C@H](N([C@@H](C1=CC=CC=C1)C)CC2=CC=CC=C2)C=3C(N(CC=C)CC=C)=CC=CC3)CC#N)C(C)(C)C

subset

  • 2_STAR

synonym EXACT

  • tert-butyl (2R,3S)-3-[benzyl-[(1R)-1-phenylethyl]amino]-3-[2-[bis(prop-2-enyl)amino]phenyl]-2-(cyanomethyl)propanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:189151

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