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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-[(2r,3s)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]-3-phenylurea

Preferred term

1-[(2r,3s)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]-3-phenylurea  

Type

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

Broader concept

charge

  • 0

formula

  • C30H34Cl2N4O4

inchi

  • InChI=1S/C30H34Cl2N4O4/c1-19-15-36(20(2)18-37)29(38)24-14-23(34-30(39)33-22-7-5-4-6-8-22)10-12-27(24)40-28(19)17-35(3)16-21-9-11-25(31)26(32)13-21/h4-14,19-20,28,37H,15-18H2,1-3H3,(H2,33,34,39)/t19-,20-,28-/m0/s1

inchikey

  • IFBPROAPJJMGOW-JVAKCPTJSA-N

mass

  • 585.522

monoisotopicmass

  • 584.19571

smiles

  • C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3)O[C@H]1CN(C)CC4=CC(=C(C=C4)Cl)Cl)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:129275

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