L-Alanyl-L-Alanyl-L-Lysyl-L-Isoleucyl-L-Glutaminyl-L-Alanyl-L-Seryl-L-Phenylalanyl-L-Arginylglycyl-L-Histidyl-L-Methionyl-L-Alanyl-L-Arginyl-L-Lysyl-L-Lysine
[CAS# 146554-17-8]

Identification

• Name: L-Alanyl-L-Alanyl-L-Lysyl-L-Isoleucyl-L-Glutaminyl-L-Alanyl-L-Seryl-L-Phenylalanyl-L-Arginylglycyl-L-Histidyl-L-Methionyl-L-Alanyl-L-Arginyl-L-Lysyl-L-Lysine
• Synonyms: AAKIQASFRGHMARKK; L-Alanyl-L-alanyl-L-lysyl-L-isoleucyl-L-glutaminyl-L-alanyl-L-seryl-L-phenylalanyl-L-arginylglycyl-L-histidyl-L-methionyl-L-alanyl-L-arginyl-L-lysyl-L-lysin
• Molecular Formula: C₇₈H₁₃₄N₂₈O₁₉S
• Molecular Weight: 1800.14
• CAS Registry Number: 146554-17-8
• SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)N
• InChI: 1S/C78H134N28O19S/c1-8-42(2)61(106-71(119)51(23-13-16-31-80)97-63(111)44(4)93-62(110)43(3)82)75(123)102-53(27-28-59(83)108)67(115)94-46(6)65(113)105-58(40-107)74(122)104-56(36-47-20-10-9-11-21-47)72(120)99-49(25-18-33-89-77(84)85)66(114)91-39-60(109)96-57(37-48-38-88-41-92-48)73(121)101-54(29-35-126-7)68(116)95-45(5)64(112)98-52(26-19-34-90-78(86)87)69(117)100-50(22-12-15-30-79)70(118)103-55(76(124)125)24-14-17-32-81/h9-11,20-21,38,41-46,49-58,61,107H,8,12-19,22-37,39-40,79-82H2,1-7H3,(H2,83,108)(H,88,92)(H,91,114)(H,93,110)(H,94,115)(H,95,116)(H,96,109)(H,97,111)(H,98,112)(H,99,120)(H,100,117)(H,101,121)(H,102,123)(H,103,118)(H,104,122)(H,105,113)(H,106,119)(H,124,125)(H4,84,85,89)(H4,86,87,90)/t42-,43-,44-,45-,46-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
• InChIKey: XCHHSUKHZKSIGY-IUUWKTEVSA-N
• Protein Sequence: H-Ala-Ala-Lys-Ile-Gln-Ala-Ser-Phe-Arg-Gly-His-Met-Ala-Arg-Lys-Lys-OH

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Refractive index: 1.656 (Cal.)