L-Lysyl-L-valyl-L-alpha-glutamyl-L-lysyl-L-isoleucylglycyl-L-alpha-glutamylglycyl-L-threonyl-L-tyrosylglycyl-L-valyl-L-valyl-L-tyrosyl-L-lysinamide
[CAS# 136688-17-0]

Identification

• Name: L-Lysyl-L-valyl-L-alpha-glutamyl-L-lysyl-L-isoleucylglycyl-L-alpha-glutamylglycyl-L-threonyl-L-tyrosylglycyl-L-valyl-L-valyl-L-tyrosyl-L-lysinamide
• Synonyms: Cdc2(6-20)Nh2 Peptide; Cell Division Cycle 2(6-20)Nh2; L-Lysinamide, L-Lysyl-L-Valyl-L-Alpha-Glutamyl-L-Lysyl-L-Isoleucylglycyl-L-Alpha-Glutamylglycyl-L-Threonyl-L-Tyrosylglycyl-L-Valyl-L-Valyl-L-Tyrosyl-
• Molecular Formula: C₇₇H₁₂₅N₁₉O₂₂
• Molecular Weight: 1668.95
• CAS Registry Number: 136688-17-0
• SMILES: [C@H](C(=O)N)(NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC(CNC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)CCCCN)=O)C(C)C)=O)CCC(=O)O)=O)CCCCN)=O)[C@H](CC)C)=O)=O)CCC(=O)O)=O)=O)[C@@H](C)O)=O)CC1=CC=C(O)C=C1)=O)=O)C(C)C)=O)C(C)C)=O)CC2=CC=C(O)C=C2)=O)CCCCN
• InChI: 1S/C77H125N19O22/c1-10-43(8)64(96-71(112)51(19-13-16-34-80)88-70(111)53(29-31-60(105)106)89-74(115)62(41(4)5)94-67(108)49(81)17-11-14-32-78)73(114)85-37-56(100)86-52(28-30-59(103)104)68(109)83-39-58(102)93-65(44(9)97)77(118)90-54(35-45-20-24-47(98)25-21-45)69(110)84-38-57(101)92-61(40(2)3)76(117)95-63(42(6)7)75(116)91-55(36-46-22-26-48(99)27-23-46)72(113)87-50(66(82)107)18-12-15-33-79/h20-27,40-44,49-55,61-65,97-99H,10-19,28-39,78-81H2,1-9H3,(H2,82,107)(H,83,109)(H,84,110)(H,85,114)(H,86,100)(H,87,113)(H,88,111)(H,89,115)(H,90,118)(H,91,116)(H,92,101)(H,93,102)(H,94,108)(H,95,117)(H,96,112)(H,103,104)(H,105,106)/t43-,44+,49-,50-,51-,52-,53-,54-,55-,61-,62-,63-,64-,65-/m0/s1
• InChIKey: DEKZNHTXEGOPTF-OTBOVQIOSA-N

Properties

• Density: 1.272g/cm³ (Cal.)
• Boiling point: 1957.6°C at 760 mmHg (Cal.)
• Flash point: 1137.7°C (Cal.)