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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 > n'-(2-aminophenyl)-n-[(2s,3s)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide
... > 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 > n'-(2-aminophenyl)-n-[(2s,3s)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfonic acid derivative > sulfonamide > n'-(2-aminophenyl)-n-[(2s,3s)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > sulfonamide > n'-(2-aminophenyl)-n-[(2s,3s)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide

Preferred term

n'-(2-aminophenyl)-n-[(2s,3s)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide  

Type

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

Broader concept

charge

  • 0

formula

  • C36H46ClN5O7S

inchi

  • InChI=1S/C36H46ClN5O7S/c1-24-21-42(25(2)23-43)36(46)20-26-19-28(39-34(44)11-5-4-6-12-35(45)40-31-10-8-7-9-30(31)38)15-18-32(26)49-33(24)22-41(3)50(47,48)29-16-13-27(37)14-17-29/h7-10,13-19,24-25,33,43H,4-6,11-12,20-23,38H2,1-3H3,(H,39,44)(H,40,45)/t24-,25+,33+/m0/s1

inchikey

  • ZPDAXSAOPWEADL-JQASONJCSA-N

mass

  • 728.300

monoisotopicmass

  • 727.28065

smiles

  • C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCCCCC(=O)NC3=CC=CC=C3N)O[C@@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)Cl)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:126715

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