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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 > oligopeptide > dipeptide > (2s)-2-[[(1s)-1-[(6s)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2s)-3-methyl-1-oxo-1-[[(2s)-3-oxo-1-phenylbutan-2-yl]amino]butan-2-yl]amino]-2-oxoethyl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid
... > organooxygen compound > carboxamide > peptide > oligopeptide > dipeptide > (2s)-2-[[(1s)-1-[(6s)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2s)-3-methyl-1-oxo-1-[[(2s)-3-oxo-1-phenylbutan-2-yl]amino]butan-2-yl]amino]-2-oxoethyl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > oligopeptide > dipeptide > (2s)-2-[[(1s)-1-[(6s)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2s)-3-methyl-1-oxo-1-[[(2s)-3-oxo-1-phenylbutan-2-yl]amino]butan-2-yl]amino]-2-oxoethyl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > oligopeptide > dipeptide > (2s)-2-[[(1s)-1-[(6s)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2s)-3-methyl-1-oxo-1-[[(2s)-3-oxo-1-phenylbutan-2-yl]amino]butan-2-yl]amino]-2-oxoethyl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > oligopeptide > dipeptide > (2s)-2-[[(1s)-1-[(6s)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2s)-3-methyl-1-oxo-1-[[(2s)-3-oxo-1-phenylbutan-2-yl]amino]butan-2-yl]amino]-2-oxoethyl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid

Preferred term

(2s)-2-[[(1s)-1-[(6s)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2s)-3-methyl-1-oxo-1-[[(2s)-3-oxo-1-phenylbutan-2-yl]amino]butan-2-yl]amino]-2-oxoethyl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C31H41N7O7

inchi

  • InChI=1S/C31H41N7O7/c1-17(2)25(27(41)34-23(18(3)39)15-19-7-5-4-6-8-19)37-28(42)26(22-13-14-33-30(32)35-22)38-31(45)36-24(29(43)44)16-20-9-11-21(40)12-10-20/h4-12,17,22-26,40H,13-16H2,1-3H3,(H,34,41)(H,37,42)(H,43,44)(H3,32,33,35)(H2,36,38,45)/t22-,23-,24-,25-,26-/m0/s1

inchikey

  • QMZZKYJVOUELBH-LROMGURASA-N

mass

  • 623.711

monoisotopicmass

  • 623.30675

smiles

  • O=C(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)C)CC1=CC=CC=C1)C(C)C)[C@H]2NC(=NCC2)N)N[C@H](C(=O)O)CC3=CC=C(O)C=C3

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-[[(1S)-1-[(6S)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2S)-3-methyl-1-oxo-1-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]butan-2-yl]amino]-2-oxoethyl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:225108

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