D-Threonyl-L-serylglycyl-D-prolyl-L-leucylglycyl-L-asparaginyl-L-leucyl-L-alanyl-L-alpha-glutamyl-D-alpha-glutamyl-L-leucyl-D-asparaginylglycyl-D-tyrosyl-L-seryl-D-arginyl-L-lysyl-L-lysylglycylglycyl- D-phenylalanyl-L-seryl-D-phenylalanyl-L-arginyl-D-phenylalaninamide
[CAS# 600171-68-4]

Identification

• Name: D-Threonyl-L-serylglycyl-D-prolyl-L-leucylglycyl-L-asparaginyl-L-leucyl-L-alanyl-L-alpha-glutamyl-D-alpha-glutamyl-L-leucyl-D-asparaginylglycyl-D-tyrosyl-L-seryl-D-arginyl-L-lysyl-L-lysylglycylglycyl- D-phenylalanyl-L-seryl-D-phenylalanyl-L-arginyl-D-phenylalaninamide
• Synonyms: D-Phenylalaninamide, D-threonyl-L-serylglycyl-D-prolyl-L-leucylglycyl-L-asparaginyl-L-leucyl-L-alanyl-L-α-glutamyl-D-α-glutamyl-L-leucyl-D-asparaginylglycyl-D-tyrosyl-L-seryl-D-arginyl-L-lysyl -L-lysylglycylglycyl-D-phenylalanyl-L-seryl-D-phenylalanyl-L-arginyl-; D-Threonyl-L-serylglycyl-D-prolyl-L-leucylglycyl-L-asparaginyl-L-leucyl-L-alanyl-L-α-glutamyl-D-α-glutamyl-L-leucyl-D-asparaginylglycyl-D-tyrosyl-L-seryl-D-arginyl-L-lysyl-L-lysylglycylglycyl- D-phenylalanyl-L-seryl-D-phenylalanyl-L-arginyl-D-phenylalaninamide
• Molecular Formula: C₁₂₇H₁₉₅N₃₇O₃₇
• Molecular Weight: 2832.13
• CAS Registry Number: 600171-68-4
• SMILES: C[C@@H]([C@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(=O)N)C(=O)NCC(=O)N[C@H](Cc2ccc(cc2)O)C(=O)N[C@@H](CO)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CO)C(=O)N[C@H](Cc4ccccc4)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc5ccccc5)C(=O)N)N)O
• InChI: 1S/C127H195N37O37/c1-66(2)49-83(160-124(200)94-35-24-48-164(94)101(176)62-144-110(186)91(63-165)163-125(201)104(132)70(8)168)108(184)142-61-100(175)148-90(57-96(131)171)121(197)157-84(50-67(3)4)116(192)145-69(7)106(182)149-80(40-42-102(177)178)114(190)154-81(41-43-103(179)180)115(191)156-85(51-68(5)6)117(193)159-89(56-95(130)170)109(185)143-60-99(174)147-87(55-74-36-38-75(169)39-37-74)119(195)161-92(64-166)122(198)153-78(33-22-46-138-126(134)135)112(188)151-77(32-19-21-45-129)111(187)150-76(31-18-20-44-128)107(183)141-58-97(172)140-59-98(173)146-86(53-72-27-14-10-15-28-72)118(194)162-93(65-167)123(199)158-88(54-73-29-16-11-17-30-73)120(196)152-79(34-23-47-139-127(136)137)113(189)155-82(105(133)181)52-71-25-12-9-13-26-71/h9-17,25-30,36-39,66-70,76-94,104,165-169H,18-24,31-35,40-65,128-129,132H2,1-8H3,(H2,130,170)(H2,131,171)(H2,133,181)(H,140,172)(H,141,183)(H,142,184)(H,143,185)(H,144,186)(H,145,192)(H,146,173)(H,147,174)(H,148,175)(H,149,182)(H,150,187)(H,151,188)(H,152,196)(H,153,198)(H,154,190)(H,155,189)(H,156,191)(H,157,197)(H,158,199)(H,159,193)(H,160,200)(H,161,195)(H,162,194)(H,163,201)(H,177,178)(H,179,180)(H4,134,135,138)(H4,136,137,139)/t69-,70-,76-,77-,78+,79-,80-,81+,82+,83-,84-,85-,86+,87+,88+,89+,90-,91-,92-,93-,94+,104+/m0/s1
• InChIKey: WHWVVIPXAAPUMD-PEUGIUJISA-N
• Protein Sequence: H-Thr-Ser-Gly-Pro-Leu-Gly-Asn-Leu-Ala-Glu-Glu-Leu-Asn-Gly-Tyr-Ser-Arg-Lys-Lys-Gly-Gly-Phe-Ser-Phe-Arg-Phe-NH2

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Refractive index: 1.664 (Cal.)