D-Arginyl-L-Prolyl-L-Lysyl-L-Prolyl-D-Phenylalanyl-L-Glutaminyl-D-Tryptophyl-L-Phenylalanyl-D-Tryptophyl-L-Leucyl-L-Leucinamide
[CAS# 96736-12-8]

Identification

• Name: D-Arginyl-L-Prolyl-L-Lysyl-L-Prolyl-D-Phenylalanyl-L-Glutaminyl-D-Tryptophyl-L-Phenylalanyl-D-Tryptophyl-L-Leucyl-L-Leucinamide
• Synonyms: 1-D-Arginine-5-D-Phenylalanine-7-D-Tryptophan-9-D-Tryptophan-11-L-Leucinamide- Substance P; 5-Phe-7,9-Trp-11-Leu-Substance P; 5-Phenylalanyl-7,9-Tryptophyl-11-Leucine-Substance P
• Molecular Formula: C₇₉H₁₀₉N₁₉O₁₂
• Molecular Weight: 1516.85
• CAS Registry Number: 96736-12-8
• SMILES: [C@@H](N)(C(=O)N8[C@H](C(=O)N[C@H](C(=O)N7[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(C)C)CC(C)C)CC1=C[NH]C2=C1C=CC=C2)CC3=CC=CC=C3)CC4=C[NH]C5=C4C=CC=C5)CCC(=O)N)CC6=CC=CC=C6)CCC7)CCCCN)CCC8)CCCNC(N)=N
• InChI: 1S/C79H109N19O12/c1-46(2)38-59(68(83)100)91-70(102)60(39-47(3)4)92-73(105)64(43-51-45-88-56-28-14-12-25-53(51)56)95-72(104)61(40-48-20-7-5-8-21-48)93-74(106)63(42-50-44-87-55-27-13-11-24-52(50)55)94-69(101)57(32-33-67(82)99)89-71(103)62(41-49-22-9-6-10-23-49)96-76(108)66-31-19-37-98(66)78(110)58(29-15-16-34-80)90-75(107)65-30-18-36-97(65)77(109)54(81)26-17-35-86-79(84)85/h5-14,20-25,27-28,44-47,54,57-66,87-88H,15-19,26,29-43,80-81H2,1-4H3,(H2,82,99)(H2,83,100)(H,89,103)(H,90,107)(H,91,102)(H,92,105)(H,93,106)(H,94,101)(H,95,104)(H,96,108)(H4,84,85,86)/t54-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-/m0/s1
• InChIKey: XVOCEQLNJQGCQG-UNAVROQCSA-N

Properties

• Density: 1.39g/cm³ (Cal.)