About methane;[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl] N-[2-[[3-amino-2-[[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-methyl-1,2,4-triazol-4-yl]phenyl]methyl]piperazine-1-carbonyl]amino]-3-oxopropyl]disulfanyl]ethyl]carbamate;[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl] 4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-methyl-1,2,4-triazol-4-yl]phenyl]methyl]piperazine-1-carboxylate;[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl] 4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidine-1-carboxylate
methane;[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl] N-[2-[[3-amino-2-[[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-methyl-1,2,4-triazol-4-yl]phenyl]methyl]piperazine-1-carbonyl]amino]-3-oxopropyl]disulfanyl]ethyl]carbamate;[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl] 4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-methyl-1,2,4-triazol-4-yl]phenyl]methyl]piperazine-1-carboxylate;[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl] 4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidine-1-carboxylate (PubChem CID 163740848) has the molecular formula C139H146N30O21S2
and a molecular weight of 2637.02 g/mol. Its IUPAC name is methane;[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl] N-[2-[[3-amino-2-[[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-methyl-1,2,4-triazol-4-yl]phenyl]methyl]piperazine-1-carbonyl]amino]-3-oxopropyl]disulfanyl]ethyl]carbamate;[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl] 4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-methyl-1,2,4-triazol-4-yl]phenyl]methyl]piperazine-1-carboxylate;[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl] 4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidine-1-carboxylate.
Frequently Asked Questions
What is the IUPAC name of methane;[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl] N-[2-[[3-amino-2-[[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-methyl-1,2,4-triazol-4-yl]phenyl]methyl]piperazine-1-carbonyl]amino]-3-oxopropyl]disulfanyl]ethyl]carbamate;[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl] 4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-methyl-1,2,4-triazol-4-yl]phenyl]methyl]piperazine-1-carboxylate;[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl] 4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidine-1-carboxylate?
The IUPAC name of methane;[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl] N-[2-[[3-amino-2-[[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-methyl-1,2,4-triazol-4-yl]phenyl]methyl]piperazine-1-carbonyl]amino]-3-oxopropyl]disulfanyl]ethyl]carbamate;[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl] 4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-methyl-1,2,4-triazol-4-yl]phenyl]methyl]piperazine-1-carboxylate;[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl] 4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidine-1-carboxylate (CID 163740848) is methane;[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl] N-[2-[[3-amino-2-[[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-methyl-1,2,4-triazol-4-yl]phenyl]methyl]piperazine-1-carbonyl]amino]-3-oxopropyl]disulfanyl]ethyl]carbamate;[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl] 4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-methyl-1,2,4-triazol-4-yl]phenyl]methyl]piperazine-1-carboxylate;[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl] 4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for methane;[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl] N-[2-[[3-amino-2-[[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-methyl-1,2,4-triazol-4-yl]phenyl]methyl]piperazine-1-carbonyl]amino]-3-oxopropyl]disulfanyl]ethyl]carbamate;[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl] 4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-methyl-1,2,4-triazol-4-yl]phenyl]methyl]piperazine-1-carboxylate;[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl] 4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidine-1-carboxylate?
The canonical SMILES for methane;[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl] N-[2-[[3-amino-2-[[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-methyl-1,2,4-triazol-4-yl]phenyl]methyl]piperazine-1-carbonyl]amino]-3-oxopropyl]disulfanyl]ethyl]carbamate;[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl] 4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-methyl-1,2,4-triazol-4-yl]phenyl]methyl]piperazine-1-carboxylate;[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl] 4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidine-1-carboxylate is C.CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(ccn3CCC3CCN(C(=O)Oc4cccc(-c5nc(N6CCOCC6)c6oc7ncccc7c6n5)c4)CC3)c2)c(O)cc1O.Cc1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc(CN2CCN(C(=O)NC(CSSCCNC(=O)Oc3cccc(-c4nc(N5CCOCC5)c5oc6ncccc6c5n4)c3)C(N)=O)CC2)cc1.Cc1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc(CN2CCN(C(=O)Oc3cccc(-c4nc(N5CCOCC5)c5oc6ncccc6c5n4)c3)CC2)cc1.
What is the InChIKey of methane;[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl] N-[2-[[3-amino-2-[[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-methyl-1,2,4-triazol-4-yl]phenyl]methyl]piperazine-1-carbonyl]amino]-3-oxopropyl]disulfanyl]ethyl]carbamate;[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl] 4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-methyl-1,2,4-triazol-4-yl]phenyl]methyl]piperazine-1-carboxylate;[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl] 4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidine-1-carboxylate?
The InChIKey is LHORCFNCYNPKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H54N12O8S2.C46H45N9O7.C43H43N9O6.CH4/c1-29(2)36-25-37(40(63)26-39(36)62)45-57-56-30(3)61(45)33-11-9-31(10-12-33)27-58-15-17-60(18-16-58)48(65)53-38(43(50)64)28-71-70-23-14-52-49(66)68-34-7-4-6-32(24-34)44-54-41-35-8-5-13-51-47(35)69-42(41)46(55-44)59-19-21-67-22-20-59;1-27(2)34-25-35(38(57)26-37(34)56)42-50-51-45(58)55(42)31-8-9-36-29(23-31)13-18-52(36)15-10-28-11-16-54(17-12-28)46(59)61-32-6-3-5-30(24-32)41-48-39-33-7-4-14-47-44(33)62-40(39)43(49-41)53-19-21-60-22-20-53;1-26(2)33-23-34(36(54)24-35(33)53)40-48-47-27(3)52(40)30-11-9-28(10-12-30)25-49-14-16-51(17-15-49)43(55)57-31-7-4-6-29(22-31)39-45-37-32-8-5-13-44-42(32)58-38(37)41(46-39)50-18-20-56-21-19-50;/h4-13,24-26,29,38,62-63H,14-23,27-28H2,1-3H3,(H2,50,64)(H,52,66)(H,53,65);3-9,13-14,18,23-28,56-57H,10-12,15-17,19-22H2,1-2H3,(H,51,58);4-13,22-24,26,53-54H,14-21,25H2,1-3H3;1H4.
What are the key properties of methane;[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl] N-[2-[[3-amino-2-[[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-methyl-1,2,4-triazol-4-yl]phenyl]methyl]piperazine-1-carbonyl]amino]-3-oxopropyl]disulfanyl]ethyl]carbamate;[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl] 4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-methyl-1,2,4-triazol-4-yl]phenyl]methyl]piperazine-1-carboxylate;[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl] 4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidine-1-carboxylate?
methane;[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl] N-[2-[[3-amino-2-[[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-methyl-1,2,4-triazol-4-yl]phenyl]methyl]piperazine-1-carbonyl]amino]-3-oxopropyl]disulfanyl]ethyl]carbamate;[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl] 4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-methyl-1,2,4-triazol-4-yl]phenyl]methyl]piperazine-1-carboxylate;[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl] 4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidine-1-carboxylate has a molecular weight of 2637.02 g/mol, XLogP of 21.14, 33 rotatable bonds, 10 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for methane;[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl] N-[2-[[3-amino-2-[[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-methyl-1,2,4-triazol-4-yl]phenyl]methyl]piperazine-1-carbonyl]amino]-3-oxopropyl]disulfanyl]ethyl]carbamate;[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl] 4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-methyl-1,2,4-triazol-4-yl]phenyl]methyl]piperazine-1-carboxylate;[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl] 4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 163740848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).