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-Glycine
[CAS# 135307-06-1]

Identification

• Name: 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-Glycine
• Synonyms: Tendamistat (12-26)
• Molecular Formula: C₇₉H₁₁₄N₂₂O₂₆
• Molecular Weight: 1787.90
• CAS Registry Number: 135307-06-1
• SMILES: [C@H](C(NCC(=O)O)=O)(NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)C(C)C)=O)[C@@H](C)O)=O)CC(C)C)=O)CC1=CC=C(O)C=C1)=O)CCC(=O)N)=O)CO)=O)CC2=C[NH]C3=CC=CC=C23)=O)CCCNC(=N)N)=O)CC4=CC=C(O)C=C4)=O)CO)=O)CCC(=O)N)=O)C)=O)CC(=O)O)=O)CC(=O)N
• 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

Properties

• Density: 1.54g/cm³ (Cal.)