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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 > amide > primary amide > ureas > n-[(2s,3r)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-yl]cyclopropanecarboxamide

Preferred term

n-[(2s,3r)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-yl]cyclopropanecarboxamide  

Type

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

Broader concept

charge

  • 0

formula

  • C27H33FN4O5

inchi

  • InChI=1S/C27H33FN4O5/c1-16-13-32(17(2)15-33)26(35)21-5-4-6-22(30-25(34)18-7-8-18)24(21)37-23(16)14-31(3)27(36)29-20-11-9-19(28)10-12-20/h4-6,9-12,16-18,23,33H,7-8,13-15H2,1-3H3,(H,29,36)(H,30,34)/t16-,17+,23-/m1/s1

inchikey

  • AAAGYPLVPQGIIN-SAHWJRBASA-N

mass

  • 512.574

monoisotopicmass

  • 512.24350

smiles

  • C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3CC3)O[C@@H]1CN(C)C(=O)NC4=CC=C(C=C4)F)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:124608

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