3-[[1-[[4-[[1-[[1-[[3,12-Bis(1-Hydroxyethyl)-9-(3H-Imidazol-4-Ylmethyl)-6,16-Dimethyl-2,5,8,11,14-Pentaoxo-1-Oxa-4,7,10,13-Tetrazacyclohexadec-15-Yl]Amino]-1-Oxopropan-2-Yl]Amino]-3-(3H-Imidazol-4-Yl)-1-Oxopropan-2-Yl]Amino]-4-Oxobutyl]Amino]-4-Methyl-1-Oxopentan-2-Yl]Amino]-2-[(3-Hydroxy-11-Methyldodecanoyl)Amino]-3-Oxopropane-1-Sulfonic Acid
[CAS# 72509-89-8]

Identification

• Name: 3-[[1-[[4-[[1-[[1-[[3,12-Bis(1-Hydroxyethyl)-9-(3H-Imidazol-4-Ylmethyl)-6,16-Dimethyl-2,5,8,11,14-Pentaoxo-1-Oxa-4,7,10,13-Tetrazacyclohexadec-15-Yl]Amino]-1-Oxopropan-2-Yl]Amino]-3-(3H-Imidazol-4-Yl)-1-Oxopropan-2-Yl]Amino]-4-Oxobutyl]Amino]-4-Methyl-1-Oxopentan-2-Yl]Amino]-2-[(3-Hydroxy-11-Methyldodecanoyl)Amino]-3-Oxopropane-1-Sulfonic Acid
• Synonyms: 3-[[1-[[4-[[2-[[2-[[3,12-Bis(1-Hydroxyethyl)-9-(3H-Imidazol-4-Ylmethyl)-6,16-Dimethyl-2,5,8,11,14-Pentaoxo-1-Oxa-4,7,10,13-Tetrazacyclohexadec-15-Yl]Amino]-1-Methyl-2-Oxo-Ethyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxo-Ethyl]Amino]-4-Oxo-Butyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-[(3-Hydroxy-11-Methyl-Dodecanoyl)Amino]-3-Oxo-Propane-1-Sulfonic Acid; 3-[[1-[[[4-[[2-[[2-[[3,12-Bis(1-Hydroxyethyl)-9-(3H-Imidazol-4-Ylmethyl)-6,16-Dimethyl-2,5,8,11,14-Pentaoxo-1-Oxa-4,7,10,13-Tetrazacyclohexadec-15-Yl]Amino]-1-Methyl-2-Oxoethyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxoethyl]Amino]-4-Oxobutyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-2-[(3-Hydroxy-11-Methyl-1-Oxododecyl)Amino]-3-Oxopropane-1-Sulfonic Acid; 3-[[1-[[4-[[2-[[2-[[3,12-Bis(1-Hydroxyethyl)-9-(3H-Imidazol-4-Ylmethyl)-2,5,8,11,14-Pentaketo-6,16-Dimethyl-1-Oxa-4,7,10,13-Tetrazacyclohexadec-15-Yl]Amino]-2-Keto-1-Methyl-Ethyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Keto-Ethyl]Amino]-4-Keto-Butyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-[(3-Hydroxy-11-Methyl-Dodecanoyl)Amino]-3-Keto-Propane-1-Sulfonic Acid
• Molecular Formula: C₅₆H₉₂N₁₄O₁₈S
• Molecular Weight: 1281.49
• CAS Registry Number: 72509-89-8
• SMILES: C1=C([NH]C=N1)CC3NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CCCNC(=O)C(NC(=O)C(NC(=O)CC(O)CCCCCCCC(C)C)C[S](O)(=O)=O)CC(C)C)CC2=CN=C[NH]2)C)C(OC(=O)C(NC(=O)C(NC3=O)C)C(O)C)C)C(O)C
• InChI: 1S/C56H92N14O18S/c1-29(2)16-13-11-10-12-14-17-38(73)23-44(75)65-42(26-89(85,86)87)53(81)66-39(20-30(3)4)50(78)59-19-15-18-43(74)64-40(21-36-24-57-27-60-36)51(79)62-32(6)49(77)70-47-35(9)88-56(84)46(34(8)72)69-48(76)31(5)63-52(80)41(22-37-25-58-28-61-37)67-54(82)45(33(7)71)68-55(47)83/h24-25,27-35,38-42,45-47,71-73H,10-23,26H2,1-9H3,(H,57,60)(H,58,61)(H,59,78)(H,62,79)(H,63,80)(H,64,74)(H,65,75)(H,66,81)(H,67,82)(H,68,83)(H,69,76)(H,70,77)(H,85,86,87)
• InChIKey: MGLOHMZSHYDHJO-UHFFFAOYSA-N

Properties

• Density: 1.363g/cm³ (Cal.)