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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 > 1-[[(2s,3s)-5-[(2s)-1-hydroxypropan-2-yl]-10-[[(4-methoxyanilino)-oxomethyl]amino]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea

Preferred term

1-[[(2s,3s)-5-[(2s)-1-hydroxypropan-2-yl]-10-[[(4-methoxyanilino)-oxomethyl]amino]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea  

Type

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

Broader concept

charge

  • 0

formula

  • C28H39N5O6

inchi

  • InChI=1S/C28H39N5O6/c1-17(2)29-28(37)32(5)15-24-18(3)14-33(19(4)16-34)26(35)22-8-7-9-23(25(22)39-24)31-27(36)30-20-10-12-21(38-6)13-11-20/h7-13,17-19,24,34H,14-16H2,1-6H3,(H,29,37)(H2,30,31,36)/t18-,19-,24+/m0/s1

inchikey

  • IBFNJHBZCKBINA-AXHZCLLHSA-N

mass

  • 541.640

monoisotopicmass

  • 541.29003

smiles

  • C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=CC=C(C=C3)OC)O[C@@H]1CN(C)C(=O)NC(C)C)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:113851

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