Methyl L-Isoleucyl-L-Asparaginyl-L-Prolyl-L-Isoleucyl-L-Tyrosyl-L-Arginyl-L-Leucyl-L-Arginyl-L-Tyrosinate
[CAS# 262418-00-8]

Identification

• Name: Methyl L-Isoleucyl-L-Asparaginyl-L-Prolyl-L-Isoleucyl-L-Tyrosyl-L-Arginyl-L-Leucyl-L-Arginyl-L-Tyrosinate
• Synonyms: BVD 10; Ile-Asn-Pro-Ile-Tyr-Arg-Leu-Arg-Tyr-OMe
• Molecular Formula: C₅₈H₉₁N₁₆O₁₃
• Molecular Weight: 1221.45
• CAS Registry Number: 262418-00-8
• SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)OC)N
• InChI: 1S/C58H92N16O13/c1-8-32(5)46(60)53(83)71-42(30-45(59)77)55(85)74-26-12-15-44(74)52(82)73-47(33(6)9-2)54(84)70-41(28-34-16-20-36(75)21-17-34)51(81)68-38(13-10-24-65-57(61)62)48(78)69-40(27-31(3)4)50(80)67-39(14-11-25-66-58(63)64)49(79)72-43(56(86)87-7)29-35-18-22-37(76)23-19-35/h16-23,31-33,38-44,46-47,75-76H,8-15,24-30,60H2,1-7H3,(H2,59,77)(H,67,80)(H,68,81)(H,69,78)(H,70,84)(H,71,83)(H,72,79)(H,73,82)(H4,61,62,65)(H4,63,64,66)/t32-,33-,38-,39-,40-,41-,42-,43-,44-,46-,47-/m0/s1
• InChIKey: JLQHEFJKMUJISI-QUCBMPEKSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Refractive index: 1.639 (Cal.)
• solubility: Soluble to 1 mg/ml in 20% acetonitrile / water