L-Glutaminyl-L-Alanyl-L-Allothreonyl-L-Valylglycyl-L-alpha-Aspartyl-D-Alloisoleucyl-L-Asparaginyl-L-Threonyl-L-alpha-Glutamyl-D-Arginyl-D-Prolylglycyl-L-Methionyl-D-Leucyl-L-alpha-Aspartyl-L-Phenylala Nyl-L-Allothreonylglycyl-L-Lysine
[CAS# 104360-70-5]

Identification

• Name: L-Glutaminyl-L-Alanyl-L-Allothreonyl-L-Valylglycyl-L-alpha-Aspartyl-D-Alloisoleucyl-L-Asparaginyl-L-Threonyl-L-alpha-Glutamyl-D-Arginyl-D-Prolylglycyl-L-Methionyl-D-Leucyl-L-alpha-Aspartyl-L-Phenylala Nyl-L-Allothreonylglycyl-L-Lysine
• Synonyms: Diazepam binding inhibitory fragment; L-Glutaminyl-L-alanyl-L-allothreonyl-L-valylglycyl-L-α-asparagyl-D-alloisoleucyl-L-asparaginyl-L-threonyl-L-α-glutamyl-D-arginyl-D-prolylglycyl-L-methionyl-D-leucyl-L-α-asparagyl-L-phenyla
 lanyl-L-allothreonylglycyl-L-lysin; L-Glutaminyl-L-alanyl-L-allothreonyl-L-valylglycyl-L-α-aspartyl-D-alloisoleucyl-L-asparaginyl-L-threonyl-L-α-glutamyl-D-arginyl-D-prolylglycyl-L-methionyl-D-leucyl-L-α-aspartyl-L-phenylala
 nyl-L-allothreonylglycyl-L-lysine
• Molecular Formula: C₉₁H₁₄₈N₂₆O₃₂S
• Molecular Weight: 2150.37
• CAS Registry Number: 104360-70-5
• SMILES: CC[C@H](C)[C@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@H](C)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)N
• InChI: 1S/C91H148N26O32S/c1-12-44(6)70(113-82(140)58(37-67(128)129)105-65(125)41-100-84(142)69(43(4)5)112-88(146)73(48(10)120)114-74(132)45(7)102-75(133)50(93)25-27-61(94)121)86(144)111-57(36-62(95)122)81(139)116-72(47(9)119)87(145)106-51(26-28-66(126)127)76(134)107-53(23-18-31-98-91(96)97)89(147)117-32-19-24-60(117)83(141)99-39-63(123)103-52(29-33-150-11)77(135)108-55(34-42(2)3)78(136)110-59(38-68(130)131)79(137)109-56(35-49-20-14-13-15-21-49)80(138)115-71(46(8)118)85(143)101-40-64(124)104-54(90(148)149)22-16-17-30-92/h13-15,20-21,42-48,50-60,69-73,118-120H,12,16-19,22-41,92-93H2,1-11H3,(H2,94,121)(H2,95,122)(H,99,141)(H,100,142)(H,101,143)(H,102,133)(H,103,123)(H,104,124)(H,105,125)(H,106,145)(H,107,134)(H,108,135)(H,109,137)(H,110,136)(H,111,144)(H,112,146)(H,113,140)(H,114,132)(H,115,138)(H,116,139)(H,126,127)(H,128,129)(H,130,131)(H,148,149)(H4,96,97,98)/t44-,45-,46-,47+,48-,50-,51-,52-,53+,54-,55+,56-,57-,58-,59-,60+,69-,70+,71-,72-,73-/m0/s1
• InChIKey: PSOBBHKVPGYREN-ZAMPNFBQSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Refractive index: 1.655 (Cal.)