2-[[2-[[2-[[2-[[2-[[2-(1-Adamantyl)Acetyl]Amino]-3-Phenylpropanoyl]Amino]-5-(Diaminomethylideneamino)Pentanoyl]Amino]-3-Hydroxypropanoyl]Amino]-3-Methylbutanoyl]Amino]Pentanediamide
[CAS# 113584-00-2]

Identification

• Name: 2-[[2-[[2-[[2-[[2-[[2-(1-Adamantyl)Acetyl]Amino]-3-Phenylpropanoyl]Amino]-5-(Diaminomethylideneamino)Pentanoyl]Amino]-3-Hydroxypropanoyl]Amino]-3-Methylbutanoyl]Amino]Pentanediamide
• Synonyms: 2-[[2-[[2-[[2-[[2-[[2-(1-Adamantyl)Acetyl]Amino]-3-Phenyl-Propanoyl]Amino]-5-Guanidino-Pentanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-3-Methyl-Butanoyl]Amino]Pentanediamide; 2-[[2-[[2-[[2-[[2-[[2-(1-Adamantyl)-1-Oxoethyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-5-Guanidino-1-Oxopentyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]-3-Methyl-1-Oxobutyl]Amino]Pentanediamide; 2-[[2-[[2-[[2-[[2-[[2-(1-Adamantyl)Acetyl]Amino]-3-Phenyl-Propanoyl]Amino]-5-Guanidino-Pentanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-3-Methyl-Butanoyl]Amino]Glutaramide
• Molecular Formula: C₄₀H₆₂N₁₀O₈
• Molecular Weight: 810.99
• CAS Registry Number: 113584-00-2
• SMILES: C4=C(CC(NC(=O)CC12CC3CC(C1)CC(C2)C3)C(=O)NC(CCCN=C(N)N)C(=O)NC(CO)C(=O)NC(C(C)C)C(=O)NC(CCC(=O)N)C(=O)N)C=CC=C4
• InChI: 1S/C40H62N10O8/c1-22(2)33(38(58)47-27(34(42)54)10-11-31(41)52)50-37(57)30(21-51)49-35(55)28(9-6-12-45-39(43)44)48-36(56)29(16-23-7-4-3-5-8-23)46-32(53)20-40-17-24-13-25(18-40)15-26(14-24)19-40/h3-5,7-8,22,24-30,33,51H,6,9-21H2,1-2H3,(H2,41,52)(H2,42,54)(H,46,53)(H,47,58)(H,48,56)(H,49,55)(H,50,57)(H4,43,44,45)
• InChIKey: BSUVJINUSBYMEM-UHFFFAOYSA-N

Properties

• Density: 1.455g/cm³ (Cal.)