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Substance Name: L-Alanine, glycyl-L-asparaginyl-L-phenylalanyl-L-leucyl-L-glutaminyl-L-seryl-L-arginyl-L-prolyl-L-alpha-glutamyl-L-prolyl-L-threonyl-L-alanyl-L-prolyl-L-prolyl-
RN: 119400-70-3
InChIKey: QXMRVPVPQQYLDJ-NWENKFQXSA-N

Molecular Formula

  • C70-H108-N20-O22

Molecular Weight

  • 1581.7412
 
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Names and Synonyms

Synonyms

  • GAG3(sequence 446-460)
  • Gly-Asn-Phe-Leu-GluNH2-Ser-Arg-Pro-Glu-Pro-Threo-Ala-Pro-Pro-Ala
  • GNFLQSRPEPTAPPA

Systematic Name

  • L-Alanine, glycyl-L-asparaginyl-L-phenylalanyl-L-leucyl-L-glutaminyl-L-seryl-L-arginyl-L-prolyl-L-alpha-glutamyl-L-prolyl-L-threonyl-L-alanyl-L-prolyl-L-prolyl-

Registry Numbers

CAS Registry Number

  • 119400-70-3

System Generated Number

  • 0119400703

Structure Descriptors

InChI

1S/C70H108N20O22/c1-35(2)30-43(83-58(100)44(31-39-14-7-6-8-15-39)84-59(101)45(32-52(73)94)79-53(95)33-71)57(99)80-40(21-23-51(72)93)56(98)85-46(34-91)60(102)81-41(16-9-25-76-70(74)75)66(108)87-26-10-18-48(87)62(104)82-42(22-24-54(96)97)67(109)88-27-11-19-49(88)63(105)86-55(38(5)92)64(106)77-36(3)65(107)90-29-13-20-50(90)68(110)89-28-12-17-47(89)61(103)78-37(4)69(111)112/h6-8,14-15,35-38,40-50,55,91-92H,9-13,16-34,71H2,1-5H3,(H2,72,93)(H2,73,94)(H,77,106)(H,78,103)(H,79,95)(H,80,99)(H,81,102)(H,82,104)(H,83,100)(H,84,101)(H,85,98)(H,86,105)(H,96,97)(H,111,112)(H4,74,75,76)/t36-,37-,38+,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,55-/m0/s1

InChIKey

QXMRVPVPQQYLDJ-NWENKFQXSA-N

Smiles

C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc5ccccc5)NC(=O)[C@H](CC(=O)N)NC(=O)CN)O