Biotinyl-epsilon-Aminohexanoyl-Alanyl-Arginyl-Valyl-Tyrosyl-Isoleucyl-Histidyl-Prolyl-Phenylalanyl(4N3)-Hydroxy
[CAS# 115082-72-9]

Identification

• Name: Biotinyl-epsilon-Aminohexanoyl-Alanyl-Arginyl-Valyl-Tyrosyl-Isoleucyl-Histidyl-Prolyl-Phenylalanyl(4N3)-Hydroxy
• Synonyms: 3-(4-Azidophenyl)-2-[[1-[2-[[2-[[2-[[2-[[5-Guanidino-2-[2-[6-[5-(2-Oxo-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl)Pentanoylamino]Hexanoylamino]Propanoylamino]Pentanoyl]Amino]-3-Methyl-Butanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Methyl-Pentanoyl]Amino]-3-(3H-Imidazol-4-Yl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]Propanoic Acid; 3-(4-Azidophenyl)-2-[[[1-[2-[[2-[[2-[[2-[[5-Guanidino-1-Oxo-2-[[1-Oxo-2-[[1-Oxo-6-[[1-Oxo-5-(2-Oxo-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl)Pentyl]Amino]Hexyl]Amino]Propyl]Amino]Pentyl]Amino]-3-Methyl-1-Oxobutyl]Amino]-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-3-Methyl-1-Oxopentyl]Amino]-3-(3H-Imidazol-4-Yl)-1-Oxopropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]Propanoic Acid; 3-(4-Azidophenyl)-2-[[1-[2-[[2-[[2-[[2-[[5-Guanidino-2-[2-[6-[5-(2-Keto-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl)Pentanoylamino]Hexanoylamino]Propanoylamino]Pentanoyl]Amino]-3-Methyl-Butanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Methyl-Pentanoyl]Amino]-3-(3H-Imidazol-4-Yl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]Propionic Acid
• Molecular Formula: C₆₅H₉₅N₁₉O₁₃S
• Molecular Weight: 1382.65
• CAS Registry Number: 115082-72-9
• SMILES: [N+](=NC6=CC=C(CC(NC(=O)C1N(CCC1)C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CCCCCNC(=O)CCCCC2SCC3NC(=O)NC23)C)CCCN=C(N)N)C(C)C)CC4=CC=C(O)C=C4)C(CC)C)CC5=CN=C[NH]5)C(O)=O)C=C6)=[N-]
• InChI: 1S/C65H95N19O13S/c1-6-37(4)54(61(93)76-46(32-42-33-69-35-72-42)62(94)84-29-13-15-49(84)59(91)77-47(63(95)96)31-39-19-23-41(24-20-39)82-83-68)80-58(90)45(30-40-21-25-43(85)26-22-40)75-60(92)53(36(2)3)79-57(89)44(14-12-28-71-64(66)67)74-56(88)38(5)73-52(87)18-8-7-11-27-70-51(86)17-10-9-16-50-55-48(34-98-50)78-65(97)81-55/h19-26,33,35-38,44-50,53-55,85H,6-18,27-32,34H2,1-5H3,(H,69,72)(H,70,86)(H,73,87)(H,74,88)(H,75,92)(H,76,93)(H,77,91)(H,79,89)(H,80,90)(H,95,96)(H4,66,67,71)(H2,78,81,97)
• InChIKey: FIBWPHUPYJOTDZ-UHFFFAOYSA-N