D-Seryl-D-Phenylalanyl-L-Arginyl-L-Asparaginylglycyl-L-Valylglycyl-L-Serylglycyl-L-Valyl-L-Lysyl-L-Lysyl-L-Threonyl-D-Seryl-D-Phenylalanyl-L-Arginyl-L-Arginyl-D-Alanyl-D-Lysyl-L-Glutamine
[CAS# 412938-75-1]

Identification

• Name: D-Seryl-D-Phenylalanyl-L-Arginyl-L-Asparaginylglycyl-L-Valylglycyl-L-Serylglycyl-L-Valyl-L-Lysyl-L-Lysyl-L-Threonyl-D-Seryl-D-Phenylalanyl-L-Arginyl-L-Arginyl-D-Alanyl-D-Lysyl-L-Glutamine
• Synonyms: D-Seryl-D-phenylalanyl-L-arginyl-L-asparaginylglycyl-L-valylglycyl-L-serylglycyl-L-valyl-L-lysyl-L-lysyl-L-threonyl-D-seryl-D-phenylalanyl-L-arginyl-L-arginyl-D-alanyl-D-lysyl-L-glutamine; L-Glutamine, D-seryl-D-phenylalanyl-L-arginyl-L-asparaginylglycyl-L-valylglycyl-L-serylglycyl-L-valyl-L-lysyl-L-lysyl-L-threonyl-D-seryl-D-phenylalanyl-L-arginyl-L-arginyl-D-alanyl-D-lysyl-; Neuropeptide S (rat)
• Molecular Formula: C₉₅H₁₆₀N₃₄O₂₇
• Molecular Weight: 2210.50
• CAS Registry Number: 412938-75-1
• SMILES: C[C@H]([C@@H](C(=O)N[C@H](CO)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CO)N)O
• InChI: 1S/C95H160N34O27/c1-49(2)73(127-71(137)44-111-78(141)65(42-69(101)135)125-84(147)61(31-21-39-110-95(106)107)120-86(149)63(123-77(140)55(99)46-130)40-53-22-9-7-10-23-53)89(152)113-43-70(136)115-66(47-131)79(142)112-45-72(138)128-74(50(3)4)90(153)121-57(27-14-17-35-97)81(144)117-58(28-15-18-36-98)85(148)129-75(52(6)133)91(154)126-67(48-132)88(151)124-64(41-54-24-11-8-12-25-54)87(150)119-60(30-20-38-109-94(104)105)82(145)118-59(29-19-37-108-93(102)103)80(143)114-51(5)76(139)116-56(26-13-16-34-96)83(146)122-62(92(155)156)32-33-68(100)134/h7-12,22-25,49-52,55-67,73-75,130-133H,13-21,26-48,96-99H2,1-6H3,(H2,100,134)(H2,101,135)(H,111,141)(H,112,142)(H,113,152)(H,114,143)(H,115,136)(H,116,139)(H,117,144)(H,118,145)(H,119,150)(H,120,149)(H,121,153)(H,122,146)(H,123,140)(H,124,151)(H,125,147)(H,126,154)(H,127,137)(H,128,138)(H,129,148)(H,155,156)(H4,102,103,108)(H4,104,105,109)(H4,106,107,110)/t51-,52-,55-,56-,57+,58+,59+,60+,61+,62+,63-,64-,65+,66+,67-,73+,74+,75+/m1/s1
• InChIKey: RLPBYGCOBLSFSK-PMUDPAPPSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Refractive index: 1.663 (Cal.)