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CHEBI:125662 - (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

ChEBI IDCHEBI:125662
ChEBI Name(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
Stars
Last Modified3 March 2016
DownloadsMolfile
FormulaC30H50N6O13S2
Net Charge0
Average Mass766.893
Monoisotopic Mass766.28773
SMILESCSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O
InChIInChI=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
InChIKeyAOPLBFBLFXYCNE-HVTWWXFQSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
(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 (CHEBI:125662) is a peptide (CHEBI:16670)
Manual XrefsDatabases
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