2-amino-3-methylbutan-1-ol;[19-[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]-3-methylbutoxy]carbonyloxy-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-7-yl]oxy-methylborinic acid;2-[5-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentoxy]acetic acid;1-[5-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentoxy]-4-(hydroxymethyl)-5-methylhexan-2-one;bromocopper;(19-carbonochloridoyloxy-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-7-yl)oxy-methylborinic acid;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-prop-2-ynylcyclohexane-1-carboxamide;methane

C148H229B2BrClCuN18O54 — CID 159920999

IUPAC2-amino-3-methylbutan-1-ol;[19-[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]-3-methylbutoxy]carbonyloxy-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-7-yl]oxy-methylborinic acid;2-[5-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentoxy]acetic acid;1-[5-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentoxy]-4-(hydroxymethyl)-5-methylhexan-2-one;bromocopper;(19-carbonochloridoyloxy-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-7-yl)oxy-methylborinic acid;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-prop-2-ynylcyclohexane-1-carboxamide;methane
SMILESC.C#CCNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1.CC(C)C(CO)CC(=O)COCC(=O)CCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-].CC(C)C(N)CO.CCc1c2c(nc3ccc(OB(C)O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(CC)OC(=O)Cl.CCc1c2c(nc3ccc(OB(C)O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(CC)OC(=O)OCC(NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])C(C)C.[Cu]Br.[N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCOCCCC(=O)COCC(=O)O
InChIInChI=1S/C51H74BN7O19.C29H55N3O12.C24H22BClN2O7.C23H43N3O12.C15H18N2O3.C5H13NO.CH4.BrH.Cu/c1-6-37-38-28-36(78-52(5)65)8-9-42(38)57-47-39(37)30-59-44(47)29-41-40(48(59)62)31-75-49(63)51(41,7-2)77-50(64)76-32-43(35(3)4)56-46(61)34-74-33-45(60)54-10-12-66-14-16-68-18-20-70-22-24-72-26-27-73-25-23-71-21-19-69-17-15-67-13-11-55-58-53;1-26(2)27(23-33)22-29(35)25-44-24-28(34)4-3-6-36-8-10-38-12-14-40-16-18-42-20-21-43-19-17-41-15-13-39-11-9-37-7-5-31-32-30;1-4-13-14-8-12(35-25(3)32)6-7-18(14)27-20-15(13)10-28-19(20)9-17-16(21(28)29)11-33-22(30)24(17,5-2)34-23(26)31;24-26-25-3-5-31-7-9-33-11-13-35-15-17-37-19-18-36-16-14-34-12-10-32-8-6-30-4-1-2-22(27)20-38-21-23(28)29;1-2-9-16-15(20)12-5-3-11(4-6-12)10-17-13(18)7-8-14(17)19;1-4(2)5(6)3-7;;;/h8-9,28-29,35,43,65H,6-7,10-27,30-34H2,1-5H3,(H,54,60)(H,56,61);26-27,33H,3-25H2,1-2H3;6-9,32H,4-5,10-11H2,1-3H3;1-21H2,(H,28,29);1,7-8,11-12H,3-6,9-10H2,(H,16,20);4-5,7H,3,6H2,1-2H3;1H4;1H;/q;;;;;;;;+1/p-1
InChIKeyNYJUJITVVRFVLJ-UHFFFAOYSA-M
MW3325.06 g/mol
LogP11.33
Rot. Bonds119

About 2-amino-3-methylbutan-1-ol;[19-[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]-3-methylbutoxy]carbonyloxy-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-7-yl]oxy-methylborinic acid;2-[5-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentoxy]acetic acid;1-[5-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentoxy]-4-(hydroxymethyl)-5-methylhexan-2-one;bromocopper;(19-carbonochloridoyloxy-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-7-yl)oxy-methylborinic acid;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-prop-2-ynylcyclohexane-1-carboxamide;methane

2-amino-3-methylbutan-1-ol;[19-[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]-3-methylbutoxy]carbonyloxy-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-7-yl]oxy-methylborinic acid;2-[5-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentoxy]acetic acid;1-[5-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentoxy]-4-(hydroxymethyl)-5-methylhexan-2-one;bromocopper;(19-carbonochloridoyloxy-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-7-yl)oxy-methylborinic acid;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-prop-2-ynylcyclohexane-1-carboxamide;methane (PubChem CID 159920999) has the molecular formula C148H229B2BrClCuN18O54 and a molecular weight of 3325.06 g/mol. Its IUPAC name is 2-amino-3-methylbutan-1-ol;[19-[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]-3-methylbutoxy]carbonyloxy-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-7-yl]oxy-methylborinic acid;2-[5-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentoxy]acetic acid;1-[5-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentoxy]-4-(hydroxymethyl)-5-methylhexan-2-one;bromocopper;(19-carbonochloridoyloxy-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-7-yl)oxy-methylborinic acid;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-prop-2-ynylcyclohexane-1-carboxamide;methane.

Molecular Properties

Compound Name2-amino-3-methylbutan-1-ol;[19-[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]-3-methylbutoxy]carbonyloxy-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-7-yl]oxy-methylborinic acid;2-[5-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentoxy]acetic acid;1-[5-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentoxy]-4-(hydroxymethyl)-5-methylhexan-2-one;bromocopper;(19-carbonochloridoyloxy-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-7-yl)oxy-methylborinic acid;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-prop-2-ynylcyclohexane-1-carboxamide;methane
PubChem CID159920999
Molecular FormulaC148H229B2BrClCuN18O54
Molecular Weight3325.06 g/mol
Exact Mass3321.41
IUPAC Name2-amino-3-methylbutan-1-ol;[19-[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]-3-methylbutoxy]carbonyloxy-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-7-yl]oxy-methylborinic acid;2-[5-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentoxy]acetic acid;1-[5-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentoxy]-4-(hydroxymethyl)-5-methylhexan-2-one;bromocopper;(19-carbonochloridoyloxy-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-7-yl)oxy-methylborinic acid;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-prop-2-ynylcyclohexane-1-carboxamide;methane
SMILESC.C#CCNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1.CC(C)C(CO)CC(=O)COCC(=O)CCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-].CC(C)C(N)CO.CCc1c2c(nc3ccc(OB(C)O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(CC)OC(=O)Cl.CCc1c2c(nc3ccc(OB(C)O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(CC)OC(=O)OCC(NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])C(C)C.[Cu]Br.[N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCOCCCC(=O)COCC(=O)O
InChIInChI=1S/C51H74BN7O19.C29H55N3O12.C24H22BClN2O7.C23H43N3O12.C15H18N2O3.C5H13NO.CH4.BrH.Cu/c1-6-37-38-28-36(78-52(5)65)8-9-42(38)57-47-39(37)30-59-44(47)29-41-40(48(59)62)31-75-49(63)51(41,7-2)77-50(64)76-32-43(35(3)4)56-46(61)34-74-33-45(60)54-10-12-66-14-16-68-18-20-70-22-24-72-26-27-73-25-23-71-21-19-69-17-15-67-13-11-55-58-53;1-26(2)27(23-33)22-29(35)25-44-24-28(34)4-3-6-36-8-10-38-12-14-40-16-18-42-20-21-43-19-17-41-15-13-39-11-9-37-7-5-31-32-30;1-4-13-14-8-12(35-25(3)32)6-7-18(14)27-20-15(13)10-28-19(20)9-17-16(21(28)29)11-33-22(30)24(17,5-2)34-23(26)31;24-26-25-3-5-31-7-9-33-11-13-35-15-17-37-19-18-36-16-14-34-12-10-32-8-6-30-4-1-2-22(27)20-38-21-23(28)29;1-2-9-16-15(20)12-5-3-11(4-6-12)10-17-13(18)7-8-14(17)19;1-4(2)5(6)3-7;;;/h8-9,28-29,35,43,65H,6-7,10-27,30-34H2,1-5H3,(H,54,60)(H,56,61);26-27,33H,3-25H2,1-2H3;6-9,32H,4-5,10-11H2,1-3H3;1-21H2,(H,28,29);1,7-8,11-12H,3-6,9-10H2,(H,16,20);4-5,7H,3,6H2,1-2H3;1H4;1H;/q;;;;;;;;+1/p-1
InChIKeyNYJUJITVVRFVLJ-UHFFFAOYSA-M
XLogP11.33
TPSA918.29 Ų
H-Bond Donors9
H-Bond Acceptors61
Rotatable Bonds119
Heavy Atoms225
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003325.06
LogP ≤ 511.33
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1061

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-3-methylbutan-1-ol;[19-[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]-3-methylbutoxy]carbonyloxy-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-7-yl]oxy-methylborinic acid;2-[5-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentoxy]acetic acid;1-[5-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentoxy]-4-(hydroxymethyl)-5-methylhexan-2-one;bromocopper;(19-carbonochloridoyloxy-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-7-yl)oxy-methylborinic acid;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-prop-2-ynylcyclohexane-1-carboxamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methylbutan-1-ol;[19-[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]-3-methylbutoxy]carbonyloxy-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-7-yl]oxy-methylborinic acid;2-[5-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentoxy]acetic acid;1-[5-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentoxy]-4-(hydroxymethyl)-5-methylhexan-2-one;bromocopper;(19-carbonochloridoyloxy-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-7-yl)oxy-methylborinic acid;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-prop-2-ynylcyclohexane-1-carboxamide;methane?
The IUPAC name of 2-amino-3-methylbutan-1-ol;[19-[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]-3-methylbutoxy]carbonyloxy-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-7-yl]oxy-methylborinic acid;2-[5-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentoxy]acetic acid;1-[5-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentoxy]-4-(hydroxymethyl)-5-methylhexan-2-one;bromocopper;(19-carbonochloridoyloxy-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-7-yl)oxy-methylborinic acid;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-prop-2-ynylcyclohexane-1-carboxamide;methane (CID 159920999) is 2-amino-3-methylbutan-1-ol;[19-[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]-3-methylbutoxy]carbonyloxy-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-7-yl]oxy-methylborinic acid;2-[5-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentoxy]acetic acid;1-[5-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentoxy]-4-(hydroxymethyl)-5-methylhexan-2-one;bromocopper;(19-carbonochloridoyloxy-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-7-yl)oxy-methylborinic acid;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-prop-2-ynylcyclohexane-1-carboxamide;methane.
What is the SMILES notation for 2-amino-3-methylbutan-1-ol;[19-[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]-3-methylbutoxy]carbonyloxy-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-7-yl]oxy-methylborinic acid;2-[5-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentoxy]acetic acid;1-[5-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentoxy]-4-(hydroxymethyl)-5-methylhexan-2-one;bromocopper;(19-carbonochloridoyloxy-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-7-yl)oxy-methylborinic acid;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-prop-2-ynylcyclohexane-1-carboxamide;methane?
The canonical SMILES for 2-amino-3-methylbutan-1-ol;[19-[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]-3-methylbutoxy]carbonyloxy-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-7-yl]oxy-methylborinic acid;2-[5-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentoxy]acetic acid;1-[5-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentoxy]-4-(hydroxymethyl)-5-methylhexan-2-one;bromocopper;(19-carbonochloridoyloxy-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-7-yl)oxy-methylborinic acid;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-prop-2-ynylcyclohexane-1-carboxamide;methane is C.C#CCNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1.CC(C)C(CO)CC(=O)COCC(=O)CCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-].CC(C)C(N)CO.CCc1c2c(nc3ccc(OB(C)O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(CC)OC(=O)Cl.CCc1c2c(nc3ccc(OB(C)O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(CC)OC(=O)OCC(NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])C(C)C.[Cu]Br.[N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCOCCCC(=O)COCC(=O)O.
What is the InChIKey of 2-amino-3-methylbutan-1-ol;[19-[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]-3-methylbutoxy]carbonyloxy-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-7-yl]oxy-methylborinic acid;2-[5-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentoxy]acetic acid;1-[5-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentoxy]-4-(hydroxymethyl)-5-methylhexan-2-one;bromocopper;(19-carbonochloridoyloxy-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-7-yl)oxy-methylborinic acid;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-prop-2-ynylcyclohexane-1-carboxamide;methane?
The InChIKey is NYJUJITVVRFVLJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C51H74BN7O19.C29H55N3O12.C24H22BClN2O7.C23H43N3O12.C15H18N2O3.C5H13NO.CH4.BrH.Cu/c1-6-37-38-28-36(78-52(5)65)8-9-42(38)57-47-39(37)30-59-44(47)29-41-40(48(59)62)31-75-49(63)51(41,7-2)77-50(64)76-32-43(35(3)4)56-46(61)34-74-33-45(60)54-10-12-66-14-16-68-18-20-70-22-24-72-26-27-73-25-23-71-21-19-69-17-15-67-13-11-55-58-53;1-26(2)27(23-33)22-29(35)25-44-24-28(34)4-3-6-36-8-10-38-12-14-40-16-18-42-20-21-43-19-17-41-15-13-39-11-9-37-7-5-31-32-30;1-4-13-14-8-12(35-25(3)32)6-7-18(14)27-20-15(13)10-28-19(20)9-17-16(21(28)29)11-33-22(30)24(17,5-2)34-23(26)31;24-26-25-3-5-31-7-9-33-11-13-35-15-17-37-19-18-36-16-14-34-12-10-32-8-6-30-4-1-2-22(27)20-38-21-23(28)29;1-2-9-16-15(20)12-5-3-11(4-6-12)10-17-13(18)7-8-14(17)19;1-4(2)5(6)3-7;;;/h8-9,28-29,35,43,65H,6-7,10-27,30-34H2,1-5H3,(H,54,60)(H,56,61);26-27,33H,3-25H2,1-2H3;6-9,32H,4-5,10-11H2,1-3H3;1-21H2,(H,28,29);1,7-8,11-12H,3-6,9-10H2,(H,16,20);4-5,7H,3,6H2,1-2H3;1H4;1H;/q;;;;;;;;+1/p-1.
What are the key properties of 2-amino-3-methylbutan-1-ol;[19-[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]-3-methylbutoxy]carbonyloxy-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-7-yl]oxy-methylborinic acid;2-[5-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentoxy]acetic acid;1-[5-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentoxy]-4-(hydroxymethyl)-5-methylhexan-2-one;bromocopper;(19-carbonochloridoyloxy-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-7-yl)oxy-methylborinic acid;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-prop-2-ynylcyclohexane-1-carboxamide;methane?
2-amino-3-methylbutan-1-ol;[19-[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]-3-methylbutoxy]carbonyloxy-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-7-yl]oxy-methylborinic acid;2-[5-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentoxy]acetic acid;1-[5-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentoxy]-4-(hydroxymethyl)-5-methylhexan-2-one;bromocopper;(19-carbonochloridoyloxy-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-7-yl)oxy-methylborinic acid;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-prop-2-ynylcyclohexane-1-carboxamide;methane has a molecular weight of 3325.06 g/mol, XLogP of 11.33, 119 rotatable bonds, 9 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methylbutan-1-ol;[19-[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]-3-methylbutoxy]carbonyloxy-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-7-yl]oxy-methylborinic acid;2-[5-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentoxy]acetic acid;1-[5-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxopentoxy]-4-(hydroxymethyl)-5-methylhexan-2-one;bromocopper;(19-carbonochloridoyloxy-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-7-yl)oxy-methylborinic acid;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-prop-2-ynylcyclohexane-1-carboxamide;methane is sourced from PubChem (CID 159920999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).