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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > sulfonamide > 2-[(3r,6as,8r,10as)-3-hydroxy-1-(4-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-[(3r)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoacid derivative > sulfonic acid derivative > sulfonamide > 2-[(3r,6as,8r,10as)-3-hydroxy-1-(4-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-[(3r)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfonic acid derivative > sulfonamide > 2-[(3r,6as,8r,10as)-3-hydroxy-1-(4-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-[(3r)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > sulfonamide > 2-[(3r,6as,8r,10as)-3-hydroxy-1-(4-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-[(3r)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide

Preferred term

2-[(3r,6as,8r,10as)-3-hydroxy-1-(4-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-[(3r)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C29H39N3O7S

inchi

  • InChI=1S/C29H39N3O7S/c1-37-24-7-10-26(11-8-24)40(35,36)32-18-23(33)19-38-20-28-27(32)12-9-25(39-28)15-29(34)30-22-13-14-31(17-22)16-21-5-3-2-4-6-21/h2-8,10-11,22-23,25,27-28,33H,9,12-20H2,1H3,(H,30,34)/t22-,23-,25-,27+,28-/m1/s1

inchikey

  • IXXIZSABFJAVRH-GLXJXMGJSA-N

mass

  • 573.703

monoisotopicmass

  • 573.25087

smiles

  • COC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](COC[C@@H]3[C@@H]2CC[C@@H](O3)CC(=O)N[C@@H]4CCN(C4)CC5=CC=CC=C5)O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:103201

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