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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-[[(2s)-4-carboxy-2-[[(2r)-2-[[2-[[(2s)-3-carboxy-2-[[(2s)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-3-mercapto-1-oxopropyl]amino]-1-oxobutyl]amino]-4-methylpentanoic acid
organooxygen compound > carboxamide > peptide > (2s)-2-[[(2s)-4-carboxy-2-[[(2r)-2-[[2-[[(2s)-3-carboxy-2-[[(2s)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-3-mercapto-1-oxopropyl]amino]-1-oxobutyl]amino]-4-methylpentanoic acid
... > 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-[[(2s)-4-carboxy-2-[[(2r)-2-[[2-[[(2s)-3-carboxy-2-[[(2s)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-3-mercapto-1-oxopropyl]amino]-1-oxobutyl]amino]-4-methylpentanoic acid
... > 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-[[(2s)-4-carboxy-2-[[(2r)-2-[[2-[[(2s)-3-carboxy-2-[[(2s)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-3-mercapto-1-oxopropyl]amino]-1-oxobutyl]amino]-4-methylpentanoic 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 > (2s)-2-[[(2s)-4-carboxy-2-[[(2r)-2-[[2-[[(2s)-3-carboxy-2-[[(2s)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-3-mercapto-1-oxopropyl]amino]-1-oxobutyl]amino]-4-methylpentanoic acid

Preferred term

(2s)-2-[[(2s)-4-carboxy-2-[[(2r)-2-[[2-[[(2s)-3-carboxy-2-[[(2s)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-3-mercapto-1-oxopropyl]amino]-1-oxobutyl]amino]-4-methylpentanoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C30H50N6O13S2

inchi

  • InChI=1S/C30H50N6O13S2/c1-15(2)11-19(28(46)47)35-25(43)16(7-8-22(38)39)33-27(45)20(14-50)32-21(37)13-31-24(42)18(12-23(40)41)34-26(44)17(9-10-51-6)36-29(48)49-30(3,4)5/h15-20,50H,7-14H2,1-6H3,(H,31,42)(H,32,37)(H,33,45)(H,34,44)(H,35,43)(H,36,48)(H,38,39)(H,40,41)(H,46,47)/t16-,17-,18-,19-,20-/m0/s1

inchikey

  • AOPLBFBLFXYCNE-HVTWWXFQSA-N

mass

  • 766.884

monoisotopicmass

  • 766.28773

smiles

  • CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:125662

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