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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > n-[(2r,3s)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
organooxygen compound > n-[(2r,3s)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide

Preferred term

n-[(2r,3s)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide  

Type

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

Broader concept

charge

  • 0

formula

  • C29H40N4O7S

has_functional_parent

inchi

  • InChI=1S/C29H40N4O7S/c1-21-18-33(22(2)20-34)29(36)25-17-23(30-28(35)11-12-32-13-15-39-16-14-32)9-10-26(25)40-27(21)19-31(3)41(37,38)24-7-5-4-6-8-24/h4-10,17,21-22,27,34H,11-16,18-20H2,1-3H3,(H,30,35)/t21-,22-,27-/m0/s1

inchikey

  • TVSKJTJGUYONLO-BERHBOFZSA-N

mass

  • 588.718

monoisotopicmass

  • 588.26177

smiles

  • C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@H]1CN(C)S(=O)(=O)C4=CC=CC=C4)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:127479

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