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Substance Name: Tendamistat (12-26)
RN: 135307-06-1
InChIKey: QFVHHVFVZLFPHM-UCEBDAAVSA-N

Molecular Weight

  • 1787.8976
 
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Names and Synonyms

Name of Substance

  • Tendamistat (12-26)

Systematic Name

  • Glycine, L-valyl-L-threonyl-L-leucyl-L-tyrosyl-L-glutaminyl-L-seryl-L-tryptophyl-L-arginyl-L-tyrosyl-L-seryl-L-glutaminyl-L-alanyl-L-alpha-aspartyl-L-asparaginyl-

Registry Numbers

CAS Registry Number

  • 135307-06-1

System Generated Number

  • 0135307061

Structure Descriptors

InChI

1S/C79H114N22O26/c1-36(2)26-50(98-78(127)64(39(6)104)101-77(126)63(83)37(3)4)70(119)95-51(27-40-13-17-43(105)18-14-40)71(120)91-49(22-24-59(81)108)69(118)99-57(35-103)76(125)96-53(29-42-32-87-46-11-8-7-10-45(42)46)73(122)90-47(12-9-25-86-79(84)85)68(117)94-52(28-41-15-19-44(106)20-16-41)72(121)100-56(34-102)75(124)92-48(21-23-58(80)107)67(116)89-38(5)65(114)93-55(31-61(110)111)74(123)97-54(30-60(82)109)66(115)88-33-62(112)113/h7-8,10-11,13-20,32,36-39,47-57,63-64,87,102-106H,9,12,21-31,33-35,83H2,1-6H3,(H2,80,107)(H2,81,108)(H2,82,109)(H,88,115)(H,89,116)(H,90,122)(H,91,120)(H,92,124)(H,93,114)(H,94,117)(H,95,119)(H,96,125)(H,97,123)(H,98,127)(H,99,118)(H,100,121)(H,101,126)(H,110,111)(H,112,113)(H4,84,85,86)/t38-,39+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-,64-/m0/s1

InChIKey

QFVHHVFVZLFPHM-UCEBDAAVSA-N

Smiles

C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc4ccc(cc4)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)O)NC(=O)[C@H](C(C)C)N)O