2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-(2-tritioethylamino)hexanamide;2-amino-3-methylbutan-1-ol;2-[3-[5-(2-azidoethoxy)-2-oxopentoxy]-2-oxopropyl]-N-(1-hydroxy-3-methylbutan-2-yl)-6-(2-tritioethylamino)hexanamide;[2-[[2-[3-[5-(2-azidoethoxy)-2-oxopentoxy]-2-oxopropyl]-6-(2-tritioethylamino)hexanoyl]amino]-3-methylbutyl] [7-[tert-butyl(dimethyl)silyl]oxy-10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonate;bromocopper;[7-[tert-butyl(dimethyl)silyl]oxy-10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonochloridate;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-prop-2-ynylcyclohexane-1-carboxamide;2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-6-(2-tritioethylamino)hexanoic acid

C161H240BrClCuN21O34Si2 — CID 159666317

IUPAC2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-(2-tritioethylamino)hexanamide;2-amino-3-methylbutan-1-ol;2-[3-[5-(2-azidoethoxy)-2-oxopentoxy]-2-oxopropyl]-N-(1-hydroxy-3-methylbutan-2-yl)-6-(2-tritioethylamino)hexanamide;[2-[[2-[3-[5-(2-azidoethoxy)-2-oxopentoxy]-2-oxopropyl]-6-(2-tritioethylamino)hexanoyl]amino]-3-methylbutyl] [7-[tert-butyl(dimethyl)silyl]oxy-10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonate;bromocopper;[7-[tert-butyl(dimethyl)silyl]oxy-10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonochloridate;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-prop-2-ynylcyclohexane-1-carboxamide;2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-6-(2-tritioethylamino)hexanoic acid
SMILESC#CCNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1.CC(C)C(N)CO.CCc1c2c(nc3ccc(O[Si](C)(C)C(C)(C)C)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(CC)OC(=O)Cl.[3H]CCNCCCCC(CC(=O)COCC(=O)CCCOCCN=[N+]=[N-])C(=O)NC(CO)C(C)C.[3H]CCNCCCCC(CC(=O)COCC(=O)CCCOCCN=[N+]=[N-])C(=O)NC(COC(=O)OC1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(O[Si](C)(C)C(C)(C)C)cc1c2CC)C(C)C.[3H]CCNCCCCC(CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.[3H]CCNCCCCC(N)C(=O)NC(CO)C(C)C.[Cu]Br
InChIInChI=1S/C52H75N7O12Si.C29H33ClN2O6Si.C24H29NO4.C23H43N5O6.C15H18N2O3.C13H29N3O2.C5H13NO.BrH.Cu/c1-11-38-39-26-37(71-72(9,10)51(6,7)8)19-20-43(39)56-46-40(38)28-59-45(46)27-42-41(48(59)63)31-68-49(64)52(42,12-2)70-50(65)69-32-44(33(4)5)57-47(62)34(17-14-15-21-54-13-3)25-36(61)30-67-29-35(60)18-16-23-66-24-22-55-58-53;1-8-17-18-12-16(38-39(6,7)28(3,4)5)10-11-22(18)31-24-19(17)14-32-23(24)13-21-20(25(32)33)15-36-26(34)29(21,9-2)37-27(30)35;1-2-25-14-8-7-9-17(24(27)28)15-23(26)29-16-22-20-12-5-3-10-18(20)19-11-4-6-13-21(19)22;1-4-25-10-6-5-8-19(23(32)27-22(15-29)18(2)3)14-21(31)17-34-16-20(30)9-7-12-33-13-11-26-28-24;1-2-9-16-15(20)12-5-3-11(4-6-12)10-17-13(18)7-8-14(17)19;1-4-15-8-6-5-7-11(14)13(18)16-12(9-17)10(2)3;1-4(2)5(6)3-7;;/h19-20,26-27,33-34,44,54H,11-18,21-25,28-32H2,1-10H3,(H,57,62);10-13H,8-9,14-15H2,1-7H3;3-6,10-13,17,22,25H,2,7-9,14-16H2,1H3,(H,27,28);18-19,22,25,29H,4-17H2,1-3H3,(H,27,32);1,7-8,11-12H,3-6,9-10H2,(H,16,20);10-12,15,17H,4-9,14H2,1-3H3,(H,16,18);4-5,7H,3,6H2,1-2H3;1H;/q;;;;;;;;+1/p-1/i3T;;2*1T;;1T;;;
InChIKeyMTLHDOGYXQNKMW-PBWGPTKQSA-M
MW3256.91 g/mol
LogP22.66
Rot. Bonds88

About 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-(2-tritioethylamino)hexanamide;2-amino-3-methylbutan-1-ol;2-[3-[5-(2-azidoethoxy)-2-oxopentoxy]-2-oxopropyl]-N-(1-hydroxy-3-methylbutan-2-yl)-6-(2-tritioethylamino)hexanamide;[2-[[2-[3-[5-(2-azidoethoxy)-2-oxopentoxy]-2-oxopropyl]-6-(2-tritioethylamino)hexanoyl]amino]-3-methylbutyl] [7-[tert-butyl(dimethyl)silyl]oxy-10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonate;bromocopper;[7-[tert-butyl(dimethyl)silyl]oxy-10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonochloridate;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-prop-2-ynylcyclohexane-1-carboxamide;2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-6-(2-tritioethylamino)hexanoic acid

2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-(2-tritioethylamino)hexanamide;2-amino-3-methylbutan-1-ol;2-[3-[5-(2-azidoethoxy)-2-oxopentoxy]-2-oxopropyl]-N-(1-hydroxy-3-methylbutan-2-yl)-6-(2-tritioethylamino)hexanamide;[2-[[2-[3-[5-(2-azidoethoxy)-2-oxopentoxy]-2-oxopropyl]-6-(2-tritioethylamino)hexanoyl]amino]-3-methylbutyl] [7-[tert-butyl(dimethyl)silyl]oxy-10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonate;bromocopper;[7-[tert-butyl(dimethyl)silyl]oxy-10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonochloridate;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-prop-2-ynylcyclohexane-1-carboxamide;2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-6-(2-tritioethylamino)hexanoic acid (PubChem CID 159666317) has the molecular formula C161H240BrClCuN21O34Si2 and a molecular weight of 3256.91 g/mol. Its IUPAC name is 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-(2-tritioethylamino)hexanamide;2-amino-3-methylbutan-1-ol;2-[3-[5-(2-azidoethoxy)-2-oxopentoxy]-2-oxopropyl]-N-(1-hydroxy-3-methylbutan-2-yl)-6-(2-tritioethylamino)hexanamide;[2-[[2-[3-[5-(2-azidoethoxy)-2-oxopentoxy]-2-oxopropyl]-6-(2-tritioethylamino)hexanoyl]amino]-3-methylbutyl] [7-[tert-butyl(dimethyl)silyl]oxy-10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonate;bromocopper;[7-[tert-butyl(dimethyl)silyl]oxy-10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonochloridate;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-prop-2-ynylcyclohexane-1-carboxamide;2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-6-(2-tritioethylamino)hexanoic acid.

Molecular Properties

Compound Name2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-(2-tritioethylamino)hexanamide;2-amino-3-methylbutan-1-ol;2-[3-[5-(2-azidoethoxy)-2-oxopentoxy]-2-oxopropyl]-N-(1-hydroxy-3-methylbutan-2-yl)-6-(2-tritioethylamino)hexanamide;[2-[[2-[3-[5-(2-azidoethoxy)-2-oxopentoxy]-2-oxopropyl]-6-(2-tritioethylamino)hexanoyl]amino]-3-methylbutyl] [7-[tert-butyl(dimethyl)silyl]oxy-10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonate;bromocopper;[7-[tert-butyl(dimethyl)silyl]oxy-10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonochloridate;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-prop-2-ynylcyclohexane-1-carboxamide;2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-6-(2-tritioethylamino)hexanoic acid
PubChem CID159666317
Molecular FormulaC161H240BrClCuN21O34Si2
Molecular Weight3256.91 g/mol
Exact Mass3252.57
IUPAC Name2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-(2-tritioethylamino)hexanamide;2-amino-3-methylbutan-1-ol;2-[3-[5-(2-azidoethoxy)-2-oxopentoxy]-2-oxopropyl]-N-(1-hydroxy-3-methylbutan-2-yl)-6-(2-tritioethylamino)hexanamide;[2-[[2-[3-[5-(2-azidoethoxy)-2-oxopentoxy]-2-oxopropyl]-6-(2-tritioethylamino)hexanoyl]amino]-3-methylbutyl] [7-[tert-butyl(dimethyl)silyl]oxy-10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonate;bromocopper;[7-[tert-butyl(dimethyl)silyl]oxy-10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonochloridate;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-prop-2-ynylcyclohexane-1-carboxamide;2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-6-(2-tritioethylamino)hexanoic acid
SMILESC#CCNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1.CC(C)C(N)CO.CCc1c2c(nc3ccc(O[Si](C)(C)C(C)(C)C)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(CC)OC(=O)Cl.[3H]CCNCCCCC(CC(=O)COCC(=O)CCCOCCN=[N+]=[N-])C(=O)NC(CO)C(C)C.[3H]CCNCCCCC(CC(=O)COCC(=O)CCCOCCN=[N+]=[N-])C(=O)NC(COC(=O)OC1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(O[Si](C)(C)C(C)(C)C)cc1c2CC)C(C)C.[3H]CCNCCCCC(CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.[3H]CCNCCCCC(N)C(=O)NC(CO)C(C)C.[Cu]Br
InChIInChI=1S/C52H75N7O12Si.C29H33ClN2O6Si.C24H29NO4.C23H43N5O6.C15H18N2O3.C13H29N3O2.C5H13NO.BrH.Cu/c1-11-38-39-26-37(71-72(9,10)51(6,7)8)19-20-43(39)56-46-40(38)28-59-45(46)27-42-41(48(59)63)31-68-49(64)52(42,12-2)70-50(65)69-32-44(33(4)5)57-47(62)34(17-14-15-21-54-13-3)25-36(61)30-67-29-35(60)18-16-23-66-24-22-55-58-53;1-8-17-18-12-16(38-39(6,7)28(3,4)5)10-11-22(18)31-24-19(17)14-32-23(24)13-21-20(25(32)33)15-36-26(34)29(21,9-2)37-27(30)35;1-2-25-14-8-7-9-17(24(27)28)15-23(26)29-16-22-20-12-5-3-10-18(20)19-11-4-6-13-21(19)22;1-4-25-10-6-5-8-19(23(32)27-22(15-29)18(2)3)14-21(31)17-34-16-20(30)9-7-12-33-13-11-26-28-24;1-2-9-16-15(20)12-5-3-11(4-6-12)10-17-13(18)7-8-14(17)19;1-4-15-8-6-5-7-11(14)13(18)16-12(9-17)10(2)3;1-4(2)5(6)3-7;;/h19-20,26-27,33-34,44,54H,11-18,21-25,28-32H2,1-10H3,(H,57,62);10-13H,8-9,14-15H2,1-7H3;3-6,10-13,17,22,25H,2,7-9,14-16H2,1H3,(H,27,28);18-19,22,25,29H,4-17H2,1-3H3,(H,27,32);1,7-8,11-12H,3-6,9-10H2,(H,16,20);10-12,15,17H,4-9,14H2,1-3H3,(H,16,18);4-5,7H,3,6H2,1-2H3;1H;/q;;;;;;;;+1/p-1/i3T;;2*1T;;1T;;;
InChIKeyMTLHDOGYXQNKMW-PBWGPTKQSA-M
XLogP22.66
TPSA783.62 Ų
H-Bond Donors14
H-Bond Acceptors45
Rotatable Bonds88
Heavy Atoms221
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003256.91
LogP ≤ 522.66
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}

Analyze 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-(2-tritioethylamino)hexanamide;2-amino-3-methylbutan-1-ol;2-[3-[5-(2-azidoethoxy)-2-oxopentoxy]-2-oxopropyl]-N-(1-hydroxy-3-methylbutan-2-yl)-6-(2-tritioethylamino)hexanamide;[2-[[2-[3-[5-(2-azidoethoxy)-2-oxopentoxy]-2-oxopropyl]-6-(2-tritioethylamino)hexanoyl]amino]-3-methylbutyl] [7-[tert-butyl(dimethyl)silyl]oxy-10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonate;bromocopper;[7-[tert-butyl(dimethyl)silyl]oxy-10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonochloridate;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-prop-2-ynylcyclohexane-1-carboxamide;2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-6-(2-tritioethylamino)hexanoic acid with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-(2-tritioethylamino)hexanamide;2-amino-3-methylbutan-1-ol;2-[3-[5-(2-azidoethoxy)-2-oxopentoxy]-2-oxopropyl]-N-(1-hydroxy-3-methylbutan-2-yl)-6-(2-tritioethylamino)hexanamide;[2-[[2-[3-[5-(2-azidoethoxy)-2-oxopentoxy]-2-oxopropyl]-6-(2-tritioethylamino)hexanoyl]amino]-3-methylbutyl] [7-[tert-butyl(dimethyl)silyl]oxy-10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonate;bromocopper;[7-[tert-butyl(dimethyl)silyl]oxy-10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonochloridate;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-prop-2-ynylcyclohexane-1-carboxamide;2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-6-(2-tritioethylamino)hexanoic acid?
The IUPAC name of 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-(2-tritioethylamino)hexanamide;2-amino-3-methylbutan-1-ol;2-[3-[5-(2-azidoethoxy)-2-oxopentoxy]-2-oxopropyl]-N-(1-hydroxy-3-methylbutan-2-yl)-6-(2-tritioethylamino)hexanamide;[2-[[2-[3-[5-(2-azidoethoxy)-2-oxopentoxy]-2-oxopropyl]-6-(2-tritioethylamino)hexanoyl]amino]-3-methylbutyl] [7-[tert-butyl(dimethyl)silyl]oxy-10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonate;bromocopper;[7-[tert-butyl(dimethyl)silyl]oxy-10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonochloridate;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-prop-2-ynylcyclohexane-1-carboxamide;2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-6-(2-tritioethylamino)hexanoic acid (CID 159666317) is 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-(2-tritioethylamino)hexanamide;2-amino-3-methylbutan-1-ol;2-[3-[5-(2-azidoethoxy)-2-oxopentoxy]-2-oxopropyl]-N-(1-hydroxy-3-methylbutan-2-yl)-6-(2-tritioethylamino)hexanamide;[2-[[2-[3-[5-(2-azidoethoxy)-2-oxopentoxy]-2-oxopropyl]-6-(2-tritioethylamino)hexanoyl]amino]-3-methylbutyl] [7-[tert-butyl(dimethyl)silyl]oxy-10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonate;bromocopper;[7-[tert-butyl(dimethyl)silyl]oxy-10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonochloridate;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-prop-2-ynylcyclohexane-1-carboxamide;2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-6-(2-tritioethylamino)hexanoic acid.
What is the SMILES notation for 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-(2-tritioethylamino)hexanamide;2-amino-3-methylbutan-1-ol;2-[3-[5-(2-azidoethoxy)-2-oxopentoxy]-2-oxopropyl]-N-(1-hydroxy-3-methylbutan-2-yl)-6-(2-tritioethylamino)hexanamide;[2-[[2-[3-[5-(2-azidoethoxy)-2-oxopentoxy]-2-oxopropyl]-6-(2-tritioethylamino)hexanoyl]amino]-3-methylbutyl] [7-[tert-butyl(dimethyl)silyl]oxy-10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonate;bromocopper;[7-[tert-butyl(dimethyl)silyl]oxy-10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonochloridate;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-prop-2-ynylcyclohexane-1-carboxamide;2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-6-(2-tritioethylamino)hexanoic acid?
The canonical SMILES for 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-(2-tritioethylamino)hexanamide;2-amino-3-methylbutan-1-ol;2-[3-[5-(2-azidoethoxy)-2-oxopentoxy]-2-oxopropyl]-N-(1-hydroxy-3-methylbutan-2-yl)-6-(2-tritioethylamino)hexanamide;[2-[[2-[3-[5-(2-azidoethoxy)-2-oxopentoxy]-2-oxopropyl]-6-(2-tritioethylamino)hexanoyl]amino]-3-methylbutyl] [7-[tert-butyl(dimethyl)silyl]oxy-10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonate;bromocopper;[7-[tert-butyl(dimethyl)silyl]oxy-10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonochloridate;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-prop-2-ynylcyclohexane-1-carboxamide;2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-6-(2-tritioethylamino)hexanoic acid is C#CCNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1.CC(C)C(N)CO.CCc1c2c(nc3ccc(O[Si](C)(C)C(C)(C)C)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(CC)OC(=O)Cl.[3H]CCNCCCCC(CC(=O)COCC(=O)CCCOCCN=[N+]=[N-])C(=O)NC(CO)C(C)C.[3H]CCNCCCCC(CC(=O)COCC(=O)CCCOCCN=[N+]=[N-])C(=O)NC(COC(=O)OC1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(O[Si](C)(C)C(C)(C)C)cc1c2CC)C(C)C.[3H]CCNCCCCC(CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.[3H]CCNCCCCC(N)C(=O)NC(CO)C(C)C.[Cu]Br.
What is the InChIKey of 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-(2-tritioethylamino)hexanamide;2-amino-3-methylbutan-1-ol;2-[3-[5-(2-azidoethoxy)-2-oxopentoxy]-2-oxopropyl]-N-(1-hydroxy-3-methylbutan-2-yl)-6-(2-tritioethylamino)hexanamide;[2-[[2-[3-[5-(2-azidoethoxy)-2-oxopentoxy]-2-oxopropyl]-6-(2-tritioethylamino)hexanoyl]amino]-3-methylbutyl] [7-[tert-butyl(dimethyl)silyl]oxy-10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonate;bromocopper;[7-[tert-butyl(dimethyl)silyl]oxy-10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonochloridate;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-prop-2-ynylcyclohexane-1-carboxamide;2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-6-(2-tritioethylamino)hexanoic acid?
The InChIKey is MTLHDOGYXQNKMW-PBWGPTKQSA-M. The full InChI is InChI=1S/C52H75N7O12Si.C29H33ClN2O6Si.C24H29NO4.C23H43N5O6.C15H18N2O3.C13H29N3O2.C5H13NO.BrH.Cu/c1-11-38-39-26-37(71-72(9,10)51(6,7)8)19-20-43(39)56-46-40(38)28-59-45(46)27-42-41(48(59)63)31-68-49(64)52(42,12-2)70-50(65)69-32-44(33(4)5)57-47(62)34(17-14-15-21-54-13-3)25-36(61)30-67-29-35(60)18-16-23-66-24-22-55-58-53;1-8-17-18-12-16(38-39(6,7)28(3,4)5)10-11-22(18)31-24-19(17)14-32-23(24)13-21-20(25(32)33)15-36-26(34)29(21,9-2)37-27(30)35;1-2-25-14-8-7-9-17(24(27)28)15-23(26)29-16-22-20-12-5-3-10-18(20)19-11-4-6-13-21(19)22;1-4-25-10-6-5-8-19(23(32)27-22(15-29)18(2)3)14-21(31)17-34-16-20(30)9-7-12-33-13-11-26-28-24;1-2-9-16-15(20)12-5-3-11(4-6-12)10-17-13(18)7-8-14(17)19;1-4-15-8-6-5-7-11(14)13(18)16-12(9-17)10(2)3;1-4(2)5(6)3-7;;/h19-20,26-27,33-34,44,54H,11-18,21-25,28-32H2,1-10H3,(H,57,62);10-13H,8-9,14-15H2,1-7H3;3-6,10-13,17,22,25H,2,7-9,14-16H2,1H3,(H,27,28);18-19,22,25,29H,4-17H2,1-3H3,(H,27,32);1,7-8,11-12H,3-6,9-10H2,(H,16,20);10-12,15,17H,4-9,14H2,1-3H3,(H,16,18);4-5,7H,3,6H2,1-2H3;1H;/q;;;;;;;;+1/p-1/i3T;;2*1T;;1T;;;.
What are the key properties of 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-(2-tritioethylamino)hexanamide;2-amino-3-methylbutan-1-ol;2-[3-[5-(2-azidoethoxy)-2-oxopentoxy]-2-oxopropyl]-N-(1-hydroxy-3-methylbutan-2-yl)-6-(2-tritioethylamino)hexanamide;[2-[[2-[3-[5-(2-azidoethoxy)-2-oxopentoxy]-2-oxopropyl]-6-(2-tritioethylamino)hexanoyl]amino]-3-methylbutyl] [7-[tert-butyl(dimethyl)silyl]oxy-10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonate;bromocopper;[7-[tert-butyl(dimethyl)silyl]oxy-10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonochloridate;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-prop-2-ynylcyclohexane-1-carboxamide;2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-6-(2-tritioethylamino)hexanoic acid?
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-(2-tritioethylamino)hexanamide;2-amino-3-methylbutan-1-ol;2-[3-[5-(2-azidoethoxy)-2-oxopentoxy]-2-oxopropyl]-N-(1-hydroxy-3-methylbutan-2-yl)-6-(2-tritioethylamino)hexanamide;[2-[[2-[3-[5-(2-azidoethoxy)-2-oxopentoxy]-2-oxopropyl]-6-(2-tritioethylamino)hexanoyl]amino]-3-methylbutyl] [7-[tert-butyl(dimethyl)silyl]oxy-10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonate;bromocopper;[7-[tert-butyl(dimethyl)silyl]oxy-10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonochloridate;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-prop-2-ynylcyclohexane-1-carboxamide;2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-6-(2-tritioethylamino)hexanoic acid has a molecular weight of 3256.91 g/mol, XLogP of 22.66, 88 rotatable bonds, 14 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-(2-tritioethylamino)hexanamide;2-amino-3-methylbutan-1-ol;2-[3-[5-(2-azidoethoxy)-2-oxopentoxy]-2-oxopropyl]-N-(1-hydroxy-3-methylbutan-2-yl)-6-(2-tritioethylamino)hexanamide;[2-[[2-[3-[5-(2-azidoethoxy)-2-oxopentoxy]-2-oxopropyl]-6-(2-tritioethylamino)hexanoyl]amino]-3-methylbutyl] [7-[tert-butyl(dimethyl)silyl]oxy-10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonate;bromocopper;[7-[tert-butyl(dimethyl)silyl]oxy-10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonochloridate;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-prop-2-ynylcyclohexane-1-carboxamide;2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-6-(2-tritioethylamino)hexanoic acid is sourced from PubChem (CID 159666317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).