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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]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea

Preferred term

1-[[(2s,3s)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea  

Type

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

Broader concept

charge

  • 0

formula

  • C27H37N5O5

inchi

  • InChI=1S/C27H37N5O5/c1-17(2)28-26(35)29-21-11-12-23-22(13-21)25(34)32(19(4)16-33)14-18(3)24(37-23)15-31(5)27(36)30-20-9-7-6-8-10-20/h6-13,17-19,24,33H,14-16H2,1-5H3,(H,30,36)(H2,28,29,35)/t18-,19-,24+/m0/s1

inchikey

  • YWOLVGYTMULQAH-AXHZCLLHSA-N

mass

  • 511.614

monoisotopicmass

  • 511.27947

smiles

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

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:111478

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