L-Isoleucyl-L-Tyrosyl-L-Prolyl-N⁵-(Diaminomethylene)-L-Ornithyl-L-Tyrosine
[CAS# 144525-68-8]

Identification

• Name: L-Isoleucyl-L-Tyrosyl-L-Prolyl-N⁵-(Diaminomethylene)-L-Ornithyl-L-Tyrosine
• Synonyms: Ile-Tyr-Pro-Arg-Tyr; I3771_SIGMA
• Molecular Formula: C₃₅H₅₀N₈O₈
• Molecular Weight: 710.82
• CAS Registry Number: 144525-68-8
• SMILES: O=C(N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(O)cc1)CCC/N=C(\N)N)[C@H]3N(C(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)CC)Cc2ccc(O)cc2)CCC3
• InChI: 1S/C35H50N8O8/c1-3-20(2)29(36)32(48)41-26(18-21-8-12-23(44)13-9-21)33(49)43-17-5-7-28(43)31(47)40-25(6-4-16-39-35(37)38)30(46)42-27(34(50)51)19-22-10-14-24(45)15-11-22/h8-15,20,25-29,44-45H,3-7,16-19,36H2,1-2H3,(H,40,47)(H,41,48)(H,42,46)(H,50,51)(H4,37,38,39)/t20-,25-,26-,27-,28-,29-/m0/s1
• InChIKey: MHTGCGBUKAKZJN-KOQQHMENSA-N

Properties

• Density: 1.407g/cm³ (Cal.)
• Refractive index: 1.651 (Cal.)