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CHEBI:125458 - 2-[[2-[[2-[[[1-[6-amino-2-[(2,6-diamino-1-oxohexyl)amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4,4-dimethyl-1-oxopentyl]amino]-4-methylpentanoic acid ethylester

ChEBI IDCHEBI:125458
ChEBI Name2-[[2-[[2-[[[1-[6-amino-2-[(2,6-diamino-1-oxohexyl)amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4,4-dimethyl-1-oxopentyl]amino]-4-methylpentanoic acid ethylester
Stars
Last Modified3 March 2016
DownloadsMolfile
FormulaC43H71N9O7
Net Charge0
Average Mass826.097
Monoisotopic Mass825.54765
SMILESCCOC(=O)C(CC(C)C)NC(=O)C(CC(C)(C)C)NC(=O)C(Cc1cnc2ccccc12)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C(N)CCCCN
InChIInChI=1S/C43H71N9O7/c1-7-59-42(58)34(23-27(2)3)50-39(55)35(25-43(4,5)6)51-38(54)33(24-28-26-47-31-17-9-8-15-29(28)31)49-40(56)36-19-14-22-52(36)41(57)32(18-11-13-21-45)48-37(53)30(46)16-10-12-20-44/h8-9,15,17,26-27,30,32-36,47H,7,10-14,16,18-25,44-46H2,1-6H3,(H,48,53)(H,49,56)(H,50,55)(H,51,54)
InChIKeyDDZFIEUYJAUJLE-UHFFFAOYSA-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)
2-[[2-[[2-[[[1-[6-amino-2-[(2,6-diamino-1-oxohexyl)amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4,4-dimethyl-1-oxopentyl]amino]-4-methylpentanoic acid ethylester (CHEBI:125458) is a peptide (CHEBI:16670)
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