About bis([(1S)-1-(bromomethyl)-3-[5-(2-oxopropyl)-1H-indole-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl] 4-methylpiperazine-1-carboxylate);[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-5-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-2-propan-2-ylpentanoyl]amino]-2-oxohexyl]phenyl]methyl N-ethyl-N-methylcarbamate;[(1S)-1-(chloromethyl)-3-[5-[2-(dimethylamino)ethoxy]-1-benzofuran-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl] N-ethyl-N-methylcarbamate;3-(2,5-dioxopyrrol-1-yl)-N-[2-[4-[1-(4-methylphenyl)ethylideneamino]-3-oxobutoxy]ethyl]propanamide;(6S)-6-[[(2S)-5-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]propanoylamino]-2-propan-2-ylpentanoyl]amino]-8-(4-methylphenyl)-7-oxooctanamide;methane
bis([(1S)-1-(bromomethyl)-3-[5-(2-oxopropyl)-1H-indole-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl] 4-methylpiperazine-1-carboxylate);[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-5-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-2-propan-2-ylpentanoyl]amino]-2-oxohexyl]phenyl]methyl N-ethyl-N-methylcarbamate;[(1S)-1-(chloromethyl)-3-[5-[2-(dimethylamino)ethoxy]-1-benzofuran-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl] N-ethyl-N-methylcarbamate;3-(2,5-dioxopyrrol-1-yl)-N-[2-[4-[1-(4-methylphenyl)ethylideneamino]-3-oxobutoxy]ethyl]propanamide;(6S)-6-[[(2S)-5-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]propanoylamino]-2-propan-2-ylpentanoyl]amino]-8-(4-methylphenyl)-7-oxooctanamide;methane (PubChem CID 162143147) has the molecular formula C184H226Br2ClN25O34
and a molecular weight of 3527.23 g/mol. Its IUPAC name is bis([(1S)-1-(bromomethyl)-3-[5-(2-oxopropyl)-1H-indole-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl] 4-methylpiperazine-1-carboxylate);[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-5-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-2-propan-2-ylpentanoyl]amino]-2-oxohexyl]phenyl]methyl N-ethyl-N-methylcarbamate;[(1S)-1-(chloromethyl)-3-[5-[2-(dimethylamino)ethoxy]-1-benzofuran-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl] N-ethyl-N-methylcarbamate;3-(2,5-dioxopyrrol-1-yl)-N-[2-[4-[1-(4-methylphenyl)ethylideneamino]-3-oxobutoxy]ethyl]propanamide;(6S)-6-[[(2S)-5-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]propanoylamino]-2-propan-2-ylpentanoyl]amino]-8-(4-methylphenyl)-7-oxooctanamide;methane.
Frequently Asked Questions
What is the IUPAC name of bis([(1S)-1-(bromomethyl)-3-[5-(2-oxopropyl)-1H-indole-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl] 4-methylpiperazine-1-carboxylate);[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-5-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-2-propan-2-ylpentanoyl]amino]-2-oxohexyl]phenyl]methyl N-ethyl-N-methylcarbamate;[(1S)-1-(chloromethyl)-3-[5-[2-(dimethylamino)ethoxy]-1-benzofuran-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl] N-ethyl-N-methylcarbamate;3-(2,5-dioxopyrrol-1-yl)-N-[2-[4-[1-(4-methylphenyl)ethylideneamino]-3-oxobutoxy]ethyl]propanamide;(6S)-6-[[(2S)-5-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]propanoylamino]-2-propan-2-ylpentanoyl]amino]-8-(4-methylphenyl)-7-oxooctanamide;methane?
The IUPAC name of bis([(1S)-1-(bromomethyl)-3-[5-(2-oxopropyl)-1H-indole-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl] 4-methylpiperazine-1-carboxylate);[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-5-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-2-propan-2-ylpentanoyl]amino]-2-oxohexyl]phenyl]methyl N-ethyl-N-methylcarbamate;[(1S)-1-(chloromethyl)-3-[5-[2-(dimethylamino)ethoxy]-1-benzofuran-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl] N-ethyl-N-methylcarbamate;3-(2,5-dioxopyrrol-1-yl)-N-[2-[4-[1-(4-methylphenyl)ethylideneamino]-3-oxobutoxy]ethyl]propanamide;(6S)-6-[[(2S)-5-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]propanoylamino]-2-propan-2-ylpentanoyl]amino]-8-(4-methylphenyl)-7-oxooctanamide;methane (CID 162143147) is bis([(1S)-1-(bromomethyl)-3-[5-(2-oxopropyl)-1H-indole-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl] 4-methylpiperazine-1-carboxylate);[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-5-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-2-propan-2-ylpentanoyl]amino]-2-oxohexyl]phenyl]methyl N-ethyl-N-methylcarbamate;[(1S)-1-(chloromethyl)-3-[5-[2-(dimethylamino)ethoxy]-1-benzofuran-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl] N-ethyl-N-methylcarbamate;3-(2,5-dioxopyrrol-1-yl)-N-[2-[4-[1-(4-methylphenyl)ethylideneamino]-3-oxobutoxy]ethyl]propanamide;(6S)-6-[[(2S)-5-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]propanoylamino]-2-propan-2-ylpentanoyl]amino]-8-(4-methylphenyl)-7-oxooctanamide;methane.
What is the SMILES notation for bis([(1S)-1-(bromomethyl)-3-[5-(2-oxopropyl)-1H-indole-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl] 4-methylpiperazine-1-carboxylate);[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-5-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-2-propan-2-ylpentanoyl]amino]-2-oxohexyl]phenyl]methyl N-ethyl-N-methylcarbamate;[(1S)-1-(chloromethyl)-3-[5-[2-(dimethylamino)ethoxy]-1-benzofuran-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl] N-ethyl-N-methylcarbamate;3-(2,5-dioxopyrrol-1-yl)-N-[2-[4-[1-(4-methylphenyl)ethylideneamino]-3-oxobutoxy]ethyl]propanamide;(6S)-6-[[(2S)-5-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]propanoylamino]-2-propan-2-ylpentanoyl]amino]-8-(4-methylphenyl)-7-oxooctanamide;methane?
The canonical SMILES for bis([(1S)-1-(bromomethyl)-3-[5-(2-oxopropyl)-1H-indole-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl] 4-methylpiperazine-1-carboxylate);[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-5-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-2-propan-2-ylpentanoyl]amino]-2-oxohexyl]phenyl]methyl N-ethyl-N-methylcarbamate;[(1S)-1-(chloromethyl)-3-[5-[2-(dimethylamino)ethoxy]-1-benzofuran-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl] N-ethyl-N-methylcarbamate;3-(2,5-dioxopyrrol-1-yl)-N-[2-[4-[1-(4-methylphenyl)ethylideneamino]-3-oxobutoxy]ethyl]propanamide;(6S)-6-[[(2S)-5-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]propanoylamino]-2-propan-2-ylpentanoyl]amino]-8-(4-methylphenyl)-7-oxooctanamide;methane is C.C/C(=N\CC(=O)CCOCCNC(=O)CCN1C(=O)C=CC1=O)c1ccc(C)cc1.CC(=O)Cc1ccc2[nH]c(C(=O)N3C[C@@H](CBr)c4c3cc(OC(=O)N3CCN(C)CC3)c3ccccc43)cc2c1.CC(=O)Cc1ccc2[nH]c(C(=O)N3C[C@@H](CBr)c4c3cc(OC(=O)N3CCN(C)CC3)c3ccccc43)cc2c1.CCN(C)C(=O)OCc1ccc(CC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](CCCNC(=O)CCCN2C(=O)C=CC2=O)C(C)C)cc1.CCN(C)C(=O)Oc1cc2c(c3ccccc13)[C@H](CCl)CN2C(=O)c1cc2cc(OCCN(C)C)ccc2o1.Cc1ccc(CC(=O)[C@H](CCCCC(N)=O)NC(=O)[C@@H](CCCNC(=O)CCOCCNC(=O)CCN2C(=O)C=CC2=O)C(C)C)cc1.
What is the InChIKey of bis([(1S)-1-(bromomethyl)-3-[5-(2-oxopropyl)-1H-indole-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl] 4-methylpiperazine-1-carboxylate);[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-5-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-2-propan-2-ylpentanoyl]amino]-2-oxohexyl]phenyl]methyl N-ethyl-N-methylcarbamate;[(1S)-1-(chloromethyl)-3-[5-[2-(dimethylamino)ethoxy]-1-benzofuran-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl] N-ethyl-N-methylcarbamate;3-(2,5-dioxopyrrol-1-yl)-N-[2-[4-[1-(4-methylphenyl)ethylideneamino]-3-oxobutoxy]ethyl]propanamide;(6S)-6-[[(2S)-5-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]propanoylamino]-2-propan-2-ylpentanoyl]amino]-8-(4-methylphenyl)-7-oxooctanamide;methane?
The InChIKey is ZKERJJLPMDDRLL-NSWIZPHRSA-N. The full InChI is InChI=1S/C35H51N5O8.C34H50N6O8.2C31H31BrN4O4.C30H32ClN3O5.C22H27N3O5.CH4/c1-24(2)27(35(47)39-28(8-4-5-9-30(36)42)29(41)23-26-12-10-25(3)11-13-26)7-6-18-37-32(44)17-21-48-22-19-38-31(43)16-20-40-33(45)14-15-34(40)46;1-5-39(4)34(47)48-22-25-14-12-24(13-15-25)21-28(41)27(10-7-19-37-33(35)46)38-32(45)26(23(2)3)9-6-18-36-29(42)11-8-20-40-30(43)16-17-31(40)44;2*1-19(37)13-20-7-8-25-21(14-20)15-26(33-25)30(38)36-18-22(17-32)29-24-6-4-3-5-23(24)28(16-27(29)36)40-31(39)35-11-9-34(2)10-12-35;1-5-33(4)30(36)39-26-16-24-28(23-9-7-6-8-22(23)26)20(17-31)18-34(24)29(35)27-15-19-14-21(10-11-25(19)38-27)37-13-12-32(2)3;1-16-3-5-18(6-4-16)17(2)24-15-19(26)10-13-30-14-11-23-20(27)9-12-25-21(28)7-8-22(25)29;/h10-15,24,27-28H,4-9,16-23H2,1-3H3,(H2,36,42)(H,37,44)(H,38,43)(H,39,47);12-17,23,26-27H,5-11,18-22H2,1-4H3,(H,36,42)(H,38,45)(H3,35,37,46);2*3-8,14-16,22,33H,9-13,17-18H2,1-2H3;6-11,14-16,20H,5,12-13,17-18H2,1-4H3;3-8H,9-15H2,1-2H3,(H,23,27);1H4/b;;;;;24-17+;/t27-,28-;26-,27-;2*22-;20-;;/m00111../s1.
What are the key properties of bis([(1S)-1-(bromomethyl)-3-[5-(2-oxopropyl)-1H-indole-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl] 4-methylpiperazine-1-carboxylate);[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-5-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-2-propan-2-ylpentanoyl]amino]-2-oxohexyl]phenyl]methyl N-ethyl-N-methylcarbamate;[(1S)-1-(chloromethyl)-3-[5-[2-(dimethylamino)ethoxy]-1-benzofuran-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl] N-ethyl-N-methylcarbamate;3-(2,5-dioxopyrrol-1-yl)-N-[2-[4-[1-(4-methylphenyl)ethylideneamino]-3-oxobutoxy]ethyl]propanamide;(6S)-6-[[(2S)-5-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]propanoylamino]-2-propan-2-ylpentanoyl]amino]-8-(4-methylphenyl)-7-oxooctanamide;methane?
bis([(1S)-1-(bromomethyl)-3-[5-(2-oxopropyl)-1H-indole-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl] 4-methylpiperazine-1-carboxylate);[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-5-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-2-propan-2-ylpentanoyl]amino]-2-oxohexyl]phenyl]methyl N-ethyl-N-methylcarbamate;[(1S)-1-(chloromethyl)-3-[5-[2-(dimethylamino)ethoxy]-1-benzofuran-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl] N-ethyl-N-methylcarbamate;3-(2,5-dioxopyrrol-1-yl)-N-[2-[4-[1-(4-methylphenyl)ethylideneamino]-3-oxobutoxy]ethyl]propanamide;(6S)-6-[[(2S)-5-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]propanoylamino]-2-propan-2-ylpentanoyl]amino]-8-(4-methylphenyl)-7-oxooctanamide;methane has a molecular weight of 3527.23 g/mol, XLogP of 22.32, 75 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for bis([(1S)-1-(bromomethyl)-3-[5-(2-oxopropyl)-1H-indole-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl] 4-methylpiperazine-1-carboxylate);[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-5-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-2-propan-2-ylpentanoyl]amino]-2-oxohexyl]phenyl]methyl N-ethyl-N-methylcarbamate;[(1S)-1-(chloromethyl)-3-[5-[2-(dimethylamino)ethoxy]-1-benzofuran-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl] N-ethyl-N-methylcarbamate;3-(2,5-dioxopyrrol-1-yl)-N-[2-[4-[1-(4-methylphenyl)ethylideneamino]-3-oxobutoxy]ethyl]propanamide;(6S)-6-[[(2S)-5-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]propanoylamino]-2-propan-2-ylpentanoyl]amino]-8-(4-methylphenyl)-7-oxooctanamide;methane is sourced from PubChem (CID 162143147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).