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Concept information

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

Preferred term

Gly Hle Ala Gly Phe(4 F) 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

  • C71H113FN18O28

inchi

  • InChI=1S/C71H113FN18O28/c1-34(2)10-16-43(82-50(94)28-75)65(110)81-35(3)61(106)77-29-53(97)85-46(26-37-11-13-38(72)14-12-37)68(113)87-41(17-15-39(27-74)117-71-60(105)59(104)58(103)48(33-91)118-71)63(108)79-31-51(95)83-44(19-22-55(99)100)66(111)86-42(18-21-49(76)93)64(109)80-32-54(98)90-25-7-9-47(90)69(114)88-40(8-5-6-24-73)62(107)78-30-52(96)84-45(20-23-56(101)102)67(112)89-57(36(4)92)70(115)116/h11-14,34-36,39-48,57-60,71,91-92,103-105H,5-10,15-33,73-75H2,1-4H3,(H2,76,93)(H,77,106)(H,78,107)(H,79,108)(H,80,109)(H,81,110)(H,82,94)(H,83,95)(H,84,96)(H,85,97)(H,86,111)(H,87,113)(H,88,114)(H,89,112)(H,99,100)(H,101,102)(H,115,116)/t35-,36+,39+,40-,41-,42-,43-,44-,45-,46-,47-,48+,57-,58-,59-,60+,71+/m0/s1

inchikey

  • LDCVRNYZAAUILA-SNMXYFHVSA-N

mass

  • 1685.75910

monoisotopicmass

  • 1684.79557

smiles

  • CC(C)CC[C@H](NC(=O)CN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)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-4-fluoro-L-phenylalanyl-(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:62389

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