Cyclo(Pro-Ile-Pro-Ile-Phe-Pro-Tyr)
[CAS# 147395-10-6]

Identification

• Name: Cyclo(Pro-Ile-Pro-Ile-Phe-Pro-Tyr)
• Synonyms: Cyclo(Prolyl-Isoleucyl-Prolyl-Isoleucyl-Phenylalanyl-Prolyl-Tyrosyl); Cycloamanide B, 3-L-Isoleucine-5-L-Proline-6-L-Tyrosine-; Phakellistatin 1
• Molecular Formula: C₄₅H₆₁N₇O₈
• Molecular Weight: 828.02
• CAS Registry Number: 147395-10-6
• SMILES: [C@@H]16N(C(=O)[C@@H](NC(=O)[C@H]4N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2N(C(=O)[C@@H](NC1=O)[C@H](CC)C)CCC2)[C@H](CC)C)CC3=CC=CC=C3)CCC4)CC5=CC=C(O)C=C5)CCC6
• InChI: 1S/C45H61N7O8/c1-5-27(3)37-42(57)47-33(25-29-13-8-7-9-14-29)44(59)50-22-10-15-34(50)39(54)46-32(26-30-18-20-31(53)21-19-30)43(58)51-23-11-16-35(51)41(56)49-38(28(4)6-2)45(60)52-24-12-17-36(52)40(55)48-37/h7-9,13-14,18-21,27-28,32-38,53H,5-6,10-12,15-17,22-26H2,1-4H3,(H,46,54)(H,47,57)(H,48,55)(H,49,56)/t27-,28-,32-,33-,34-,35-,36?,37-,38-/m0/s1
• InChIKey: QKAAFOFCOXIVQV-GWHVZCMOSA-N