Edeine B
[CAS# 52452-78-5]

Identification

• Name: Edeine B
• Synonyms: 6-Amino-2-[[3-Amino-2-[[3-[[3-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-2-Hydroxy-Propanoyl]Amino]Propanoyl]Amino]-9-[[2-[3-(4-Guanidinobutylamino)Propylamino]-2-Oxo-Ethyl]Amino]-7-Hydroxy-9-Oxo-Nonanoic Acid; 6-Amino-2-[[3-Amino-2-[[3-[[3-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-2-Hydroxy-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-9-[[2-[3-(4-Guanidinobutylamino)Propylamino]-2-Oxoethyl]Amino]-7-Hydroxy-9-Oxononanoic Acid; 6-Amino-2-[[3-Amino-2-[[3-[[3-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-2-Hydroxy-Propanoyl]Amino]Propanoyl]Amino]-9-[[2-[3-(4-Guanidinobutylamino)Propylamino]-2-Keto-Ethyl]Amino]-7-Hydroxy-9-Keto-Pelargonic Acid
• Molecular Formula: C₃₄H₆₀N₁₂O₁₀
• Molecular Weight: 796.92
• CAS Registry Number: 52452-78-5
• SMILES: C1=C(C(N)CC(=O)NCC(O)C(=O)NC(C(=O)NC(CCCC(N)C(O)CC(=O)NCC(=O)NCCCNCCCCN=C(N)N)C(O)=O)CN)C=CC(=C1)O
• InChI: 1S/C34H60N12O10/c35-17-25(46-32(54)27(49)18-43-28(50)15-23(37)20-7-9-21(47)10-8-20)31(53)45-24(33(55)56)6-3-5-22(36)26(48)16-29(51)44-19-30(52)41-14-4-12-40-11-1-2-13-42-34(38)39/h7-10,22-27,40,47-49H,1-6,11-19,35-37H2,(H,41,52)(H,43,50)(H,44,51)(H,45,53)(H,46,54)(H,55,56)(H4,38,39,42)
• InChIKey: MDYFJGJCAHAWTD-UHFFFAOYSA-N

Properties

• Density: 1.478g/cm³ (Cal.)