N-[4-Amino-1-({1-[(4-Amino-1-Oxo-1-{[6,9,18-Tris(2-Aminoethyl)-15-Benzyl-3-(1-Hydroxyethyl)-12-Isobutyl-2,5,8,11,14,17,20-Heptaoxo-1,4,7,10,13,16,19-Heptaazacyclotricosan-21-Yl]Amino}-2-Butanyl)Amino] -3-Hydroxy-1-Oxo-2-Butanyl}Amino)-1-Oxo-2-Butanyl]-6-Methyloctanamide Sulfate (1:1)
[CAS# 1404-26-8]

Identification

• Name: N-[4-Amino-1-({1-[(4-Amino-1-Oxo-1-{[6,9,18-Tris(2-Aminoethyl)-15-Benzyl-3-(1-Hydroxyethyl)-12-Isobutyl-2,5,8,11,14,17,20-Heptaoxo-1,4,7,10,13,16,19-Heptaazacyclotricosan-21-Yl]Amino}-2-Butanyl)Amino] -3-Hydroxy-1-Oxo-2-Butanyl}Amino)-1-Oxo-2-Butanyl]-6-Methyloctanamide Sulfate (1:1)
• Molecular Formula: C₅₆H₁₀₀N₁₆O₁₇S
• Molecular Weight: 1301.56
• CAS Registry Number: 1404-26-8
• EINECS: 215-768-4
• SMILES: CCC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCN)Cc2ccccc2)CC(C)C)CCN)CCN)C(C)O.OS(=O)(=O)O
• InChI: 1S/C56H98N16O13.H2O4S/c1-7-32(4)13-11-12-16-44(75)63-36(17-23-57)51(80)72-46(34(6)74)56(85)68-39(20-26-60)48(77)67-41-22-28-62-55(84)45(33(5)73)71-52(81)40(21-27-61)65-47(76)37(18-24-58)66-53(82)42(29-31(2)3)69-54(83)43(30-35-14-9-8-10-15-35)70-49(78)38(19-25-59)64-50(41)79;1-5(2,3)4/h8-10,14-15,31-34,36-43,45-46,73-74H,7,11-13,16-30,57-61H2,1-6H3,(H,62,84)(H,63,75)(H,64,79)(H,65,76)(H,66,82)(H,67,77)(H,68,85)(H,69,83)(H,70,78)(H,71,81)(H,72,80);(H2,1,2,3,4)
• InChIKey: HFMDLUQUEXNBOP-UHFFFAOYSA-N

Properties

• Refractive index: (Cal.)

References

• (1): Morales María Dolores. An electrochemical method for simultaneous detection and identification of Escherichia coli, Staphylococcus aureus and Salmonella choleraesuis using a glucose oxidase-peroxidase composite biosensor, The Analyst, 2007