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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)-1-[[(2s)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-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)-1-[[(2s)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-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)-1-[[(2s)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-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)-1-[[(2s)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-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)-1-[[(2s)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-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)-1-[[(2s)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-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

  • C31H41N7O8

inchi

  • InChI=1S/C31H41N7O8/c1-16(2)25(27(42)34-23(17(3)39)14-18-4-8-20(40)9-5-18)37-28(43)26(22-12-13-33-30(32)35-22)38-31(46)36-24(29(44)45)15-19-6-10-21(41)11-7-19/h4-11,16,22-26,40-41H,12-15H2,1-3H3,(H,34,42)(H,37,43)(H,44,45)(H3,32,33,35)(H2,36,38,46)/t22-,23-,24-,25-,26-/m0/s1

inchikey

  • FEGRPPREIYRYJD-LROMGURASA-N

mass

  • 639.710

monoisotopicmass

  • 639.30166

smiles

  • O=C(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)C)CC1=CC=C(O)C=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)-1-[[(2S)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:225102

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