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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 > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > peptide > (2s)-2-hydroxy-3-methyl-n-[(2s)-1-[[(5s)-3-methyl-4-oxo-2,5-dihydro-1h-3-benzazepin-5-yl]amino]-1-oxopropan-2-yl]butanamide
organooxygen compound > carboxamide > peptide > (2s)-2-hydroxy-3-methyl-n-[(2s)-1-[[(5s)-3-methyl-4-oxo-2,5-dihydro-1h-3-benzazepin-5-yl]amino]-1-oxopropan-2-yl]butanamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > (2s)-2-hydroxy-3-methyl-n-[(2s)-1-[[(5s)-3-methyl-4-oxo-2,5-dihydro-1h-3-benzazepin-5-yl]amino]-1-oxopropan-2-yl]butanamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > (2s)-2-hydroxy-3-methyl-n-[(2s)-1-[[(5s)-3-methyl-4-oxo-2,5-dihydro-1h-3-benzazepin-5-yl]amino]-1-oxopropan-2-yl]butanamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > (2s)-2-hydroxy-3-methyl-n-[(2s)-1-[[(5s)-3-methyl-4-oxo-2,5-dihydro-1h-3-benzazepin-5-yl]amino]-1-oxopropan-2-yl]butanamide

Preferred term

(2s)-2-hydroxy-3-methyl-n-[(2s)-1-[[(5s)-3-methyl-4-oxo-2,5-dihydro-1h-3-benzazepin-5-yl]amino]-1-oxopropan-2-yl]butanamide  

Type

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

Broader concept

charge

  • 0

formula

  • C19H27N3O4

inchi

  • InChI=1S/C19H27N3O4/c1-11(2)16(23)18(25)20-12(3)17(24)21-15-14-8-6-5-7-13(14)9-10-22(4)19(15)26/h5-8,11-12,15-16,23H,9-10H2,1-4H3,(H,20,25)(H,21,24)/t12-,15-,16-/m0/s1

inchikey

  • PKXWXXPNHIWQHW-RCBQFDQVSA-N

mass

  • 361.436

monoisotopicmass

  • 361.20016

smiles

  • C[C@@H](C(=O)N[C@H]1C2=CC=CC=C2CCN(C1=O)C)NC(=O)[C@H](C(C)C)O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:131158

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