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Substance Name: Val(galactosyl-3-galactosyl-N-acetyl)thr-his-pro-gly-tyr
RN: 142035-49-2
InChIKey: RXJBJFGLMHMRTN-UHFFFAOYSA-N

Note

  • Fibronectin fragment glycopeptide.

Molecular Formula

  • C45-H67-N9-O19

Molecular Weight

  • 1038.0683
 
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Names and Synonyms

Name of Substance

  • Val(galactosyl-3-galactosyl-N-acetyl)thr-his-pro-gly-tyr

Synonyms

  • V(Galbeta3GalNAcalpha)thpgy
  • Vgagathpgy

Systematic Name

  • L-Tyrosine, N-(N-(N-(N-(O-(2-(acetylamino)-2-deoxy-3-O-beta-D-galactopyranosyl-beta-D-galctopyranosyl)-N-L-valyl-L-threonyl)-L-histidyl)-L-prolyl)glycyl)-

Registry Numbers

CAS Registry Number

  • 142035-49-2

System Generated Number

  • 0142035492

Structure Descriptors

InChI

1S/C45H67N9O19/c1-19(2)31(46)40(65)53-32(20(3)70-44-33(50-21(4)57)38(35(61)29(17-56)71-44)73-45-37(63)36(62)34(60)28(16-55)72-45)41(66)52-25(13-23-14-47-18-49-23)42(67)54-11-5-6-27(54)39(64)48-15-30(59)51-26(43(68)69)12-22-7-9-24(58)10-8-22/h7-10,14,18-20,25-29,31-38,44-45,55-56,58,60-63H,5-6,11-13,15-17,46H2,1-4H3,(H,47,49)(H,48,64)(H,50,57)(H,51,59)(H,52,66)(H,53,65)(H,68,69)

InChIKey

RXJBJFGLMHMRTN-UHFFFAOYSA-N

Smiles

CC(C)C(C(=O)NC(C(C)OC1C(C(C(C(O1)CO)O)OC2C(C(C(C(O2)CO)O)O)O)NC(=O)C)C(=O)NC(Cc3c[nH]cn3)C(=O)N4CCCC4C(=O)NCC(=O)NC(Cc5ccc(cc5)O)C(=O)O)N