L-Arginyl-L-Isoleucyl-L-Lysyl-L-Isoleucylglycyl-L-Leucyl-L-Phenylalanyl-L-alpha-Aspartyl-L-Glutaminyl-L-Leucyl-L-Seryl-L-Arginyl-L-Leucinamide
[CAS# 216064-36-7]

Identification

• Name: L-Arginyl-L-Isoleucyl-L-Lysyl-L-Isoleucylglycyl-L-Leucyl-L-Phenylalanyl-L-alpha-Aspartyl-L-Glutaminyl-L-Leucyl-L-Seryl-L-Arginyl-L-Leucinamide
• Synonyms: b-PMTX; b-PMTX |
• Molecular Formula: C₇₁H₁₂₃N₂₂O₁₇
• Molecular Weight: 1557.88
• CAS Registry Number: 216064-36-7
• SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CCCNC(=N)N)N
• InChI: 1S/C71H124N22O17/c1-11-40(9)56(93-62(103)44(23-16-17-27-72)86-69(110)57(41(10)12-2)92-59(100)43(73)22-18-28-80-70(76)77)68(109)82-35-54(96)83-48(31-38(5)6)63(104)89-50(33-42-20-14-13-15-21-42)65(106)90-51(34-55(97)98)66(107)85-46(25-26-53(74)95)61(102)88-49(32-39(7)8)64(105)91-52(36-94)67(108)84-45(24-19-29-81-71(78)79)60(101)87-47(58(75)99)30-37(3)4/h13-15,20-21,37-41,43-52,56-57,94H,11-12,16-19,22-36,72-73H2,1-10H3,(H2,74,95)(H2,75,99)(H,82,109)(H,83,96)(H,84,108)(H,85,107)(H,86,110)(H,87,101)(H,88,102)(H,89,104)(H,90,106)(H,91,105)(H,92,100)(H,93,103)(H,97,98)(H4,76,77,80)(H4,78,79,81)/t40-,41-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,56-,57-/m0/s1
• InChIKey: YBOJYGJMKPMNRC-QRIWDNSUSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Refractive index: 1.626 (Cal.)
• solubility: Soluble to 1 mg/ml in water