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Concept information

ترکیب اکسیژن ارگانیک > کربوکسامید > پپتید > الیگوپپتید > Ac Gln Gln Glu Gln Gln Phe Lys Arg Glu Leu Arg Asn Leu Pro Gln Gln Lys NH2

Preferred term

Ac Gln Gln Glu Gln Gln Phe Lys Arg Glu Leu Arg Asn Leu Pro Gln Gln Lys NH2  

Type

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

Broader concept

charge

  • 0

formula

  • C96H159N33O29

inchi

  • InChI=1S/C96H159N33O29/c1-48(2)44-64(90(154)117-55(21-14-42-112-96(109)110)81(145)127-66(47-75(105)137)92(156)128-67(45-49(3)4)94(158)129-43-15-22-68(129)93(157)124-61(28-36-74(104)136)86(150)119-57(24-32-70(100)132)83(147)114-52(78(106)142)18-9-11-39-97)125-89(153)63(30-38-77(140)141)122-80(144)54(20-13-41-111-95(107)108)115-79(143)53(19-10-12-40-98)116-91(155)65(46-51-16-7-6-8-17-51)126-88(152)60(27-35-73(103)135)121-84(148)59(26-34-72(102)134)120-87(151)62(29-37-76(138)139)123-85(149)58(25-33-71(101)133)118-82(146)56(113-50(5)130)23-31-69(99)131/h6-8,16-17,48-49,52-68H,9-15,18-47,97-98H2,1-5H3,(H2,99,131)(H2,100,132)(H2,101,133)(H2,102,134)(H2,103,135)(H2,104,136)(H2,105,137)(H2,106,142)(H,113,130)(H,114,147)(H,115,143)(H,116,155)(H,117,154)(H,118,146)(H,119,150)(H,120,151)(H,121,148)(H,122,144)(H,123,149)(H,124,157)(H,125,153)(H,126,152)(H,127,145)(H,128,156)(H,138,139)(H,140,141)(H4,107,108,111)(H4,109,110,112)/t52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-/m0/s1

inchikey

  • DFQWIBUZXHBIMO-RKWCDEMWSA-N

mass

  • 2239.497

monoisotopicmass

  • 2238.19815

smiles

  • C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC(=O)N)C(=O)N[C@H](C(N1CCC[C@H]1C(=O)N[C@H](C(N[C@H](C(N[C@H](C(=O)N)CCCCN)=O)CCC(=O)N)=O)CCC(=O)N)=O)CC(C)C)=O)CCCNC(=N)N)=O)CC(C)C)=O)CCC(=O)O)=O)CCCNC(=N)N)CCCCN)=O)CC=2C=CC=CC2)=O)CCC(=O)N)=O)CCC(=O)N)=O)CCC(=O)O)=O)CCC(=O)N)([C@H](CCC(=O)N)NC(=O)C)=O

subset

  • 3_STAR

synonym EXACT

  • N(2)-acetyl-L-glutaminyl-L-glutaminyl-L-alpha-glutamyl-L-glutaminyl-L-glutaminyl-L-phenylalanyl-L-lysyl-L-arginyl-L-alpha-glutamyl-L-leucyl-L-arginyl-L-asparaginyl-L-leucyl-L-prolyl-L-glutaminyl-L-glutaminyl-L-lysinamide

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:140453

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