L-Glutaminyl-L-Alanyl-L-Threonyl-L-Valylglycyl-L-alpha-Aspartyl-L-Valyl-L-Asparaginyl-L-Threonyl-L-alpha-Aspartyl-L-Arginyl-L-Prolylglycyl-L-Leucyl-L-Leucyl-L-alpha-Aspartyl-L-Leucyl-L-Lysine
[CAS# 95237-86-8]

Identification

• Name: L-Glutaminyl-L-Alanyl-L-Threonyl-L-Valylglycyl-L-alpha-Aspartyl-L-Valyl-L-Asparaginyl-L-Threonyl-L-alpha-Aspartyl-L-Arginyl-L-Prolylglycyl-L-Leucyl-L-Leucyl-L-alpha-Aspartyl-L-Leucyl-L-Lysine
• Synonyms: Gln-Ala-Thr-Val-Gly-Asp-Val-Asn-Thr-Asp-Arg-Pro-Gly-Leu-Leu-Asp-Leu-Lys; L-Lysine, L-Glutaminyl-L-Alanyl-L-Threonyl-L-Valylglycyl-L-Alpha-Aspartyl-L-Valyl-L-Asparaginyl-L-Threonyl-L-Alpha-Aspartyl-L-Arginyl-L-Prolylglycyl-L-Leucyl-L-Leucyl-L-Alpha-Aspartyl-L-Leucyl-; Odnp
• Molecular Formula: C₈₁H₁₃₈N₂₄O₂₉
• Molecular Weight: 1912.12
• CAS Registry Number: 95237-86-8
• SMILES: [C@@H]1(N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)C)[C@H](O)C)C(C)C)CC(=O)O)C(C)C)CC(=O)N)[C@H](O)C)CC(=O)O)CCCNC(=N)N)CCC1)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCCN)CC(C)C)CC(=O)O)CC(C)C)CC(C)C
• InChI: 1S/C81H138N24O29/c1-35(2)26-46(67(120)96-48(28-37(5)6)69(122)98-51(31-59(114)115)71(124)97-47(27-36(3)4)68(121)95-45(80(133)134)18-14-15-23-82)92-56(110)33-89-74(127)53-20-17-25-105(53)79(132)44(19-16-24-88-81(86)87)94-70(123)52(32-60(116)117)100-77(130)63(41(12)106)104-72(125)49(29-55(85)109)99-76(129)62(39(9)10)101-73(126)50(30-58(112)113)93-57(111)34-90-75(128)61(38(7)8)102-78(131)64(42(13)107)103-65(118)40(11)91-66(119)43(83)21-22-54(84)108/h35-53,61-64,106-107H,14-34,82-83H2,1-13H3,(H2,84,108)(H2,85,109)(H,89,127)(H,90,128)(H,91,119)(H,92,110)(H,93,111)(H,94,123)(H,95,121)(H,96,120)(H,97,124)(H,98,122)(H,99,129)(H,100,130)(H,101,126)(H,102,131)(H,103,118)(H,104,125)(H,112,113)(H,114,115)(H,116,117)(H,133,134)(H4,86,87,88)/t40-,41+,42+,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,61-,62-,63-,64-/m0/s1
• InChIKey: PTVIBIVJSXWMPT-FGSANIJTSA-N