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

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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 ChEBI ID CHEBI:125662 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C30H50N6O13S2 Net Charge 0 Average Mass 766.884 Monoisotopic Mass 766.28773 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 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 Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) View more via ChEBI Ontology ChEBI Ontology Outgoing (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 Xref Database LSM-37223 LINCS View more database links Last Modified 03 March 2016