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Concept information

ترکیب اکسیژن ارگانیک > کربوکسامید > پپتید > گلیکوپپتید > Gly Hle Ala Gly Ala(thiazol 4 yl) Lys(5 GalO) Gly Glu Gln Gly Pro Lys Gly Glu Thr

Preferred term

Gly Hle Ala Gly Ala(thiazol 4 yl) Lys(5 GalO) Gly Glu Gln Gly Pro Lys Gly Glu Thr  

Type

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

Broader concept

charge

  • 0

formula

  • C68H111N19O28S

inchi

  • InChI=1S/C68H111N19O28S/c1-32(2)10-12-40(79-47(91)24-71)62(107)78-33(3)58(103)73-25-50(94)82-43(22-35-30-116-31-77-35)65(110)84-38(13-11-36(23-70)114-68-57(102)56(101)55(100)45(29-88)115-68)60(105)75-27-48(92)80-41(15-18-52(96)97)63(108)83-39(14-17-46(72)90)61(106)76-28-51(95)87-21-7-9-44(87)66(111)85-37(8-5-6-20-69)59(104)74-26-49(93)81-42(16-19-53(98)99)64(109)86-54(34(4)89)67(112)113/h30-34,36-45,54-57,68,88-89,100-102H,5-29,69-71H2,1-4H3,(H2,72,90)(H,73,103)(H,74,104)(H,75,105)(H,76,106)(H,78,107)(H,79,91)(H,80,92)(H,81,93)(H,82,94)(H,83,108)(H,84,110)(H,85,111)(H,86,109)(H,96,97)(H,98,99)(H,112,113)/t33-,34+,36+,37-,38-,39-,40-,41-,42-,43-,44-,45+,54-,55-,56-,57+,68+/m0/s1

inchikey

  • JNXPCANNWHRMPB-HZLMLZQISA-N

mass

  • 1674.78400

monoisotopicmass

  • 1673.75667

smiles

  • CC(C)CC[C@H](NC(=O)CN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1cscn1)C(=O)N[C@@H](CC[C@H](CN)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O

subset

  • 3_STAR

synonym EXACT

  • glycyl-5-methyl-L-norleucyl-L-alanylglycyl-3-(1,3-thiazol-4-yl)-L-alanyl-(5R)-5-(beta-D-galactopyranosyloxy)-L-lysyl-glycyl-L-alpha-glutamyl-L-glutaminylglycyl-L-prolyl-L-lysylglycyl-L-alpha-glutamyl-L-threonine

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:62391

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