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CHEBI:125409 - 2-[[2-[[2-[[[1-[5-(diaminomethylideneamino)-2-[[5-(diaminomethylideneamino)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(4-hydroxyphenyl)propyl]amino]-3-methyl-1-oxopentyl]amino]-4-methylpentanoic acid

ChEBI IDCHEBI:125409
ChEBI Name2-[[2-[[2-[[[1-[5-(diaminomethylideneamino)-2-[[5-(diaminomethylideneamino)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(4-hydroxyphenyl)propyl]amino]-3-methyl-1-oxopentyl]amino]-4-methylpentanoic acid
Stars
Last Modified3 March 2016
DownloadsMolfile
FormulaC43H74N12O9
Net Charge0
Average Mass903.140
Monoisotopic Mass902.57017
SMILESCCC(C)C(NCC(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)OC(C)(C)C)C(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C43H74N12O9/c1-8-26(4)34(37(59)53-32(39(61)62)22-25(2)3)50-24-28(23-27-15-17-29(56)18-16-27)51-36(58)33-14-11-21-55(33)38(60)31(13-10-20-49-41(46)47)52-35(57)30(12-9-19-48-40(44)45)54-42(63)64-43(5,6)7/h15-18,25-26,28,30-34,50,56H,8-14,19-24H2,1-7H3,(H,51,58)(H,52,57)(H,53,59)(H,54,63)(H,61,62)(H4,44,45,48)(H4,46,47,49)
InChIKeyHVLRZNSDCCVRSL-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-[5-(diaminomethylideneamino)-2-[[5-(diaminomethylideneamino)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(4-hydroxyphenyl)propyl]amino]-3-methyl-1-oxopentyl]amino]-4-methylpentanoic acid (CHEBI:125409) is a peptide (CHEBI:16670)
Manual XrefsDatabases
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