L-Allothreonyl-D-alpha-glutamyl-L-prolylglycyl-D-leucyl-D-alpha-glutamyl-L-alpha-glutamyl-L-valylglycyl-D-alpha-glutamyl-D-alloisoleucyl-D-alpha-glutamyl-L-glutaminyl-L-lysyl-L-glutaminyl-L-leucyl-L-glutamine
[CAS# 208253-85-4]

Identification

• Name: L-Allothreonyl-D-alpha-glutamyl-L-prolylglycyl-D-leucyl-D-alpha-glutamyl-L-alpha-glutamyl-L-valylglycyl-D-alpha-glutamyl-D-alloisoleucyl-D-alpha-glutamyl-L-glutaminyl-L-lysyl-L-glutaminyl-L-leucyl-L-glutamine
• Synonyms: L-Allothreonyl-D-α-glutamyl-L-prolylglycyl-D-leucyl-D-α-glutamyl-L-α-glutamyl-L-valylglycyl-D-α-glutamyl-D-alloisoleucyl-D-α-glutamyl-L-glutaminyl-L-lysyl-L-glutaminyl-L-leucyl-L-g lutamine; L-Glutamine, L-allothreonyl-D-α-glutamyl-L-prolylglycyl-D-leucyl-D-α-glutamyl-L-α-glutamyl-L-valylglycyl-D-α-glutamyl-D-alloisoleucyl-D-α-glutamyl-L-glutaminyl-L-lysyl-L-glutaminyl -L-leucyl-; Nocistatin (bovine)
• Molecular Formula: C₈₂H₁₃₅N₂₁O₃₂
• Molecular Weight: 1927.07
• CAS Registry Number: 208253-85-4
• SMILES: CC[C@H](C)[C@H](C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCC(=O)O)NC(=O)[C@H]([C@H](C)O)N
• InChI: 1S/C82H135N21O32/c1-10-41(8)67(80(132)97-48(21-29-62(114)115)71(123)94-45(16-24-55(84)105)69(121)92-43(14-11-12-32-83)68(120)93-46(17-25-56(85)106)72(124)100-53(35-39(4)5)76(128)99-51(82(134)135)18-26-57(86)107)102-73(125)44(19-27-60(110)111)90-58(108)37-89-79(131)66(40(6)7)101-74(126)49(22-30-63(116)117)95-70(122)47(20-28-61(112)113)96-75(127)52(34-38(2)3)91-59(109)36-88-77(129)54-15-13-33-103(54)81(133)50(23-31-64(118)119)98-78(130)65(87)42(9)104/h38-54,65-67,104H,10-37,83,87H2,1-9H3,(H2,84,105)(H2,85,106)(H2,86,107)(H,88,129)(H,89,131)(H,90,108)(H,91,109)(H,92,121)(H,93,120)(H,94,123)(H,95,122)(H,96,127)(H,97,132)(H,98,130)(H,99,128)(H,100,124)(H,101,126)(H,102,125)(H,110,111)(H,112,113)(H,114,115)(H,116,117)(H,118,119)(H,134,135)/t41-,42-,43-,44+,45-,46-,47+,48+,49-,50+,51-,52+,53-,54-,65-,66-,67+/m0/s1
• InChIKey: GUPWDFZVRDNEEX-VMIOFPOFSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 2257.2±65.0°C at 760 mmHg (Cal.)
• Flash point: 1318.9±34.3°C (Cal.)
• Refractive index: 1.561 (Cal.)