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Chemistry, part 1

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Concept information

organic aromatic compound > aromatic amine > 2-[(2s,4as,12as)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-n-[(3s)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
... > 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-[(2s,4as,12as)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-n-[(3s)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
... > 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-[(2s,4as,12as)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-n-[(3s)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide

Preferred term

2-[(2s,4as,12as)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-n-[(3s)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C33H38N4O5S

inchi

  • InChI=1S/C33H38N4O5S/c1-36-28-11-10-25(17-31(38)35-24-13-14-37(20-24)19-22-6-3-2-4-7-22)42-30(28)21-41-29-12-9-23(16-27(29)33(36)40)34-32(39)18-26-8-5-15-43-26/h2-9,12,15-16,24-25,28,30H,10-11,13-14,17-21H2,1H3,(H,34,39)(H,35,38)/t24-,25-,28-,30+/m0/s1

inchikey

  • YIAMBQQGWRAZTQ-FCJWUBJXSA-N

mass

  • 602.746

monoisotopicmass

  • 602.25629

smiles

  • CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)N[C@H]5CCN(C5)CC6=CC=CC=C6

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:102204

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