Val-Asp-Trp-Lys-Lys-Ile-Gly-Gln-His-Ile-Leu-Ser-Val-Leu-NH2
[CAS# 74129-19-4]

Identification

• Name: Val-Asp-Trp-Lys-Lys-Ile-Gly-Gln-His-Ile-Leu-Ser-Val-Leu-NH2
• Synonyms: Polistes Mastoparan
• Molecular Formula: C₇₇H₁₂₇N₂₁O₁₈
• Molecular Weight: 1634.98
• CAS Registry Number: 74129-19-4
• SMILES: [C@H](CCCCN)(C(N[C@H](C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC(C)C)C(N)=O)=O)C(C)C)=O)CO)=O)CC(C)C)=O)[C@H](CC)C)=O)CC1=CN=C[NH]1)=O)CCC(N)=O)=O)=O)[C@H](CC)C)=O)NC(=O)[C@@H](NC(=O)[C@H](CC2=C[NH]C3=C2C=CC=C3)NC(=O)[C@H](CC(=O)O)NC([C@H](C(C)C)N)=O)CCCCN
• InChI: 1S/C77H127N21O18/c1-13-43(11)63(97-68(107)50(24-18-20-28-79)88-66(105)49(23-17-19-27-78)89-70(109)54(31-45-34-84-48-22-16-15-21-47(45)48)91-71(110)56(33-60(102)103)93-74(113)61(81)41(7)8)75(114)85-36-59(101)87-51(25-26-58(80)100)67(106)92-55(32-46-35-83-38-86-46)72(111)98-64(44(12)14-2)77(116)94-53(30-40(5)6)69(108)95-57(37-99)73(112)96-62(42(9)10)76(115)90-52(65(82)104)29-39(3)4/h15-16,21-22,34-35,38-44,49-57,61-64,84,99H,13-14,17-20,23-33,36-37,78-79,81H2,1-12H3,(H2,80,100)(H2,82,104)(H,83,86)(H,85,114)(H,87,101)(H,88,105)(H,89,109)(H,90,115)(H,91,110)(H,92,106)(H,93,113)(H,94,116)(H,95,108)(H,96,112)(H,97,107)(H,98,111)(H,102,103)/t43-,44-,49-,50-,51-,52-,53-,54-,55-,56-,57-,61-,62-,63-,64-/m0/s1
• InChIKey: XKUYSBUJKLFGFG-XVGFDQGISA-N

Properties

• Density: 1.245g/cm³ (Cal.)
• Boiling point: 1906.1°C at 760 mmHg (Cal.)
• Flash point: 1106.6°C (Cal.)