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    OH O O OH O
    6JN
    Name:3-oxopentanedioic acid
    Formula:C5 H6 O5
    SMILES:C(C(=O)O)C(CC(O)=O)=O
    InChi:InChI=1S/C5H6O5/c6-3(1-4(7)8)2-5(9)10/h1-2H2,(H,7,8)(H,9,10)
    Definition date:2018-11-14
    Last modified:2018-11-14
    Identifier:3-oxopentanedioic acid
    O CH 3 HN OH OH S O N N H 3 C
    70J
    Name:3-methyl-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-1-(phenylmethyl)quinazoline-2,4-dione
    Formula:C20 H23 N3 O4 S
    SMILES:CN1C(=O)N(Cc2ccccc2)c3ccc(cc3C1=O)[S](O)(O)NC4(C)CC4
    InChi:InChI=1S/C20H23N3O4S/c1-20(10-11-20)21-28(26,27)15-8-9-17-16(12-15)18(24)22(2)19(25)23(17)13-14-6-4-3-5-7-14/h3-9,12,21,26-27H,10-11,13H2,1-2H3
    Definition date:2018-11-14
    Last modified:2018-11-14
    Identifier:3-methyl-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-1-(phenylmethyl)quinazoline-2,4-dione
    H 3 C S OH HN O N N OH N O N S H 3 C N CH 3 H 3 C
    73L
    Name:1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-3-[(1-methylpyrazol-4-yl)methyl]quinazoline-2,4-dione
    Formula:C23 H28 N6 O4 S2
    SMILES:Cn1cc(CN2C(=O)N(Cc3sc(C)nc3C)c4ccc(cc4C2=O)[S](O)(O)NC5(C)CC5)cn1
    InChi:InChI=1S/C23H28N6O4S2/c1-14-20(34-15(2)25-14)13-28-19-6-5-17(35(32,33)26-23(3)7-8-23)9-18(19)21(30)29(22(28)31)12-16-10-24-27(4)11-16/h5-6,9-11,26,32-33H,7-8,12-13H2,1-4H3
    Definition date:2018-11-14
    Last modified:2018-11-14
    Identifier:1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-3-[(1-methylpyrazol-4-yl)methyl]quinazoline-2,4-dione
    O O O O S HN H 3 C CH 3 CH 3
    7JB
    Name:~{N}-~{tert}-butyl-9,10-bis(oxidanylidene)anthracene-2-sulfonamide
    Formula:C18 H17 N O4 S
    SMILES:CC(C)(C)N[S](=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1
    InChi:InChI=1S/C18H17NO4S/c1-18(2,3)19-24(22,23)11-8-9-14-15(10-11)17(21)13-7-5-4-6-12(13)16(14)20/h4-10,19H,1-3H3
    Definition date:2018-11-14
    Last modified:2018-11-14
    Identifier:~{N}-~{tert}-butyl-9,10-bis(oxidanylidene)anthracene-2-sulfonamide
    S H 3 C S N N O N O H 3 C HN O O H 3 C
    7JC
    Name:1-methyl-~{N}-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide
    Formula:C18 H20 N4 O4 S2
    SMILES:CN1C(=O)N(Cc2sc(C)nc2)C(=O)c3cc(ccc13)[S](=O)(=O)NC4(C)CC4
    InChi:InChI=1S/C18H20N4O4S2/c1-11-19-9-12(27-11)10-22-16(23)14-8-13(4-5-15(14)21(3)17(22)24)28(25,26)20-18(2)6-7-18/h4-5,8-9,20H,6-7,10H2,1-3H3
    Definition date:2018-11-14
    Last modified:2018-11-14
    Identifier:1-methyl-~{N}-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide
    CH 3 O H 3 C O O
    9X7
    Name:ethyl 2-oxopropanoate
    Formula:C5 H8 O3
    SMILES:CCOC(=O)C(C)=O
    InChi:InChI=1S/C5H8O3/c1-3-8-5(7)4(2)6/h3H2,1-2H3
    Definition date:2018-11-14
    Last modified:2018-11-14
    Identifier:ethyl 2-oxopropanoate
    CH 3 CH 3 O O O CH 3 H 3 C O
    9XX
    Name:(2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate
    Formula:C38 H74 O4
    SMILES:C(CCC(OC(COC(CCCCCCCCCCCCCCC)=O)C)=O)CCCCCC(CCCCCCCC)C
    InChi:InChI=1S/C38H74O4/c1-5-7-9-11-13-14-15-16-17-18-19-24-28-32-37(39)41-34-36(4)42-38(40)33-29-25-21-20-23-27-31-35(3)30-26-22-12-10-8-6-2/h35-36H,5-34H2,1-4H3/t35-,36-/m0/s1
    Synonyms:(S)-1-(palmitoyloxy)propan-2-yl (S)-10-methyloctadecanoate
    Definition date:2018-11-14
    Last modified:2018-11-14
    Identifier:(2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate
    CH 3 H 3 C O OH O O O O O P O NH 2
    9Y0
    Name:(2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate
    Formula:C39 H76 N O8 P
    SMILES:NCCOP(=O)(O)OCC(COC(=O)CCCCCCC[C@H]=[C@H]CCCCCCCC)OC(CCCCCCCCCCCCCCC)=O
    InChi:InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,37H,3-16,19-36,40H2,1-2H3,(H,43,44)/b18-17-/t37-/m1/s1
    Definition date:2018-11-14
    Last modified:2018-11-14
    Identifier:(2R)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexadecanoyloxy)propyl (9Z)-octadec-9-enoate
    H 3 C H 3 C O O O HO OH OH O O OH O OH HO O P H 3 C
    9YF
    Name:(2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate
    Formula:C44 H85 O13 P
    SMILES:P(O)(OC1C(C(C(C(O)C1O)O)O)O)(OCC(COC(CCCCCCCC(C)CCCCCCCCC)=O)OC(=O)CCCCCCCCCCCCCCC)=O
    InChi:InChI=1S/C44H85O13P/c1-4-6-8-10-12-13-14-15-16-17-19-23-28-32-38(46)56-36(34-55-58(52,53)57-44-42(50)40(48)39(47)41(49)43(44)51)33-54-37(45)31-27-24-20-22-26-30-35(3)29-25-21-18-11-9-7-5-2/h35-36,39-44,47-51H,4-34H2,1-3H3,(H,52,53)/t35-,36+,39-,40+,41+,42+,43-,44-/m0/s1
    Definition date:2018-11-14
    Last modified:2018-11-14
    Identifier:(2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate
    O OH O N N CH 3 CH 3 H 3 C H 3 C H 3 C
    BY2
    Name:[3-[(1~{R})-1-(dimethylamino)ethyl]-4-oxidanyl-phenyl] ~{N}-ethyl-~{N}-methyl-carbamate
    Formula:C14 H22 N2 O3
    SMILES:CCN(C)C(=O)Oc1ccc(O)c(c1)[CH](C)N(C)C
    InChi:InChI=1S/C14H22N2O3/c1-6-16(5)14(18)19-11-7-8-13(17)12(9-11)10(2)15(3)4/h7-10,17H,6H2,1-5H3/t10-/m1/s1
    Definition date:2018-11-14
    Last modified:2018-11-14
    Identifier:[3-[(1~{R})-1-(dimethylamino)ethyl]-4-oxidanyl-phenyl] ~{N}-ethyl-~{N}-methyl-carbamate
    NH 2 OH OH H 2 N O
    CUW
    Name:(2~{S},3~{R})-2,6-bis(azanyl)-3-oxidanyl-hexanoic acid
    Formula:C6 H14 N2 O3
    SMILES:NCCC[CH](O)[CH](N)C(O)=O
    InChi:InChI=1S/C6H14N2O3/c7-3-1-2-4(9)5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5+/m1/s1
    Synonyms:3-hydroxy-L-lysine
    Definition date:2018-11-14
    Last modified:2018-11-14
    Identifier:(2~{S},3~{R})-2,6-bis(azanyl)-3-oxidanyl-hexanoic acid
    CH 3 N NH O O
    D8N
    Name:~{N}-[4-[(5~{R})-4,5-dihydro-1,2-oxazol-5-yl]phenyl]ethanamide
    Formula:C11 H12 N2 O2
    SMILES:CC(=O)Nc1ccc(cc1)[CH]2CC=NO2
    InChi:InChI=1S/C11H12N2O2/c1-8(14)13-10-4-2-9(3-5-10)11-6-7-12-15-11/h2-5,7,11H,6H2,1H3,(H,13,14)/t11-/m1/s1
    Definition date:2018-11-14
    Last modified:2018-11-14
    Identifier:~{N}-[4-[(5~{R})-4,5-dihydro-1,2-oxazol-5-yl]phenyl]ethanamide
    OH O O OH H 2 N O
    DV7
    Name:L-(7-hydroxycoumarin-4-yl)ethylglycine
    Formula:C13 H13 N O5
    SMILES:C(C(CCC=2c1ccc(O)cc1OC(C=2)=O)N)(=O)O
    InChi:InChI=1S/C13H13NO5/c14-10(13(17)18)4-1-7-5-12(16)19-11-6-8(15)2-3-9(7)11/h2-3,5-6,10,15H,1,4,14H2,(H,17,18)/t10-/m0/s1
    Synonyms:(2S)-2-amino-4-(7-hydroxy-2-oxo-2H-1-benzopyran-4-yl)butanoic acid
    Definition date:2018-11-14
    Last modified:2018-11-14
    Identifier:(2S)-2-amino-4-(7-hydroxy-2-oxo-2H-1-benzopyran-4-yl)butanoic acid
    N H H 3 C H 3 C CH 3 H 3 C N N H N O O O O O S Cl
    DXS
    Name:2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]acetamide
    Formula:C33 H33 Cl N4 O5 S
    SMILES:c2(c1c(ccc(OC)c1)n(c2C)C(c3ccc(cc3)Cl)=O)CC(NCCNS(c5c4cccc(c4ccc5)N(C)C)(=O)=O)=O
    InChi:InChI=1S/C33H33ClN4O5S/c1-21-27(28-19-24(43-4)15-16-30(28)38(21)33(40)22-11-13-23(34)14-12-22)20-32(39)35-17-18-36-44(41,42)31-10-6-7-25-26(31)8-5-9-29(25)37(2)3/h5-16,19,36H,17-18,20H2,1-4H3,(H,35,39)
    Definition date:2018-11-14
    Last modified:2018-11-14
    Identifier:2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]acetamide
    F O H 3 C N F O F O HO CH 3 F S
    DY1
    Name:[(1S)-6-fluoro-8-(methylsulfonyl)-9-{(1R)-1-[4-(trifluoromethyl)phenyl]ethyl}-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetic acid
    Formula:C24 H23 F4 N O4 S
    SMILES:c4c(S(C)(=O)=O)c2c(c1c(C(CC(O)=O)CCC1)n2C(C)c3ccc(cc3)C(F)(F)F)cc4F
    InChi:InChI=1S/C24H23F4NO4S/c1-13(14-6-8-16(9-7-14)24(26,27)28)29-22-15(10-21(30)31)4-3-5-18(22)19-11-17(25)12-20(23(19)29)34(2,32)33/h6-9,11-13,15H,3-5,10H2,1-2H3,(H,30,31)/t13-,15+/m1/s1
    Definition date:2018-11-14
    Last modified:2018-11-14
    Identifier:[(1S)-6-fluoro-8-(methylsulfonyl)-9-{(1R)-1-[4-(trifluoromethyl)phenyl]ethyl}-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetic acid
    OH H 3 C H 3 C NH O HO OH H 3 C O O O HO O O OH O P P H 3 C CH 3 H 3 C
    FFK
    Name:[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] [oxidanyl-[(2~{Z},6~{Z},10~{Z})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl] hydrogen phosphate
    Formula:C28 H49 N O12 P2
    SMILES:CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)O[P](O)(=O)O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1NC(C)=O
    InChi:InChI=1S/C28H49NO12P2/c1-19(2)10-7-11-20(3)12-8-13-21(4)14-9-15-22(5)16-17-38-42(34,35)41-43(36,37)40-28-25(29-23(6)31)27(33)26(32)24(18-30)39-28/h10,12,14,16,24-28,30,32-33H,7-9,11,13,15,17-18H2,1-6H3,(H,29,31)(H,34,35)(H,36,37)/b20-12-,21-14-,22-16-/t24-,25-,26-,27-,28-/m1/s1
    Definition date:2018-11-14
    Last modified:2018-11-14
    Identifier:[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] [oxidanyl-[(2~{Z},6~{Z},10~{Z})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl] hydrogen phosphate
    OH Mo Mo Mo Mo Mo O HO HO OH OH O OH HO HO OH O HO OH OH HO O OH OH HO HO O HO HO OH
    FUQ
    Name:Mo5 Cluster
    Formula:H20 Mo5 O25
    SMILES:O[Mo]1(O)(O)(O)O[Mo](O)(O)(O)(O)O[Mo](O)(O)(O)(O)O[Mo](O)(O)(O)(O)O[Mo](O)(O)(O)(O)O1
    InChi:InChI=1S/5Mo.20H2O.5O/h
    Definition date:2018-11-14
    Last modified:2018-11-14
    Identifier:2,2,2,2,4,4,4,4,6,6,6,6,8,8,8,8,10,10,10,10-icosakis(oxidanyl)-1,3,5,7,9-pentaoxa-2$l^{6},4$l^{6},6$l^{6},8$l^{6},10$l^{6}-pentamolybdacyclodecane
    S S O O HO O + N N CH 3
    G4A
    Name:2-[(Z)-(3-methyl-1,3-benzoxazol-2(3H)-ylidene)methyl]-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium
    Formula:C19 H19 N2 O4 S2
    SMILES:c4c3c(O\C(=C/c2sc1ccccc1[n+]2CCCS(O)(=O)=O)N3C)ccc4
    InChi:InChI=1S/C19H18N2O4S2/c1-20-14-7-2-4-9-16(14)25-18(20)13-19-21(11-6-12-27(22,23)24)15-8-3-5-10-17(15)26-19/h2-5,7-10,13H,6,11-12H2,1H3/p+1
    Definition date:2018-11-14
    Last modified:2018-11-14
    Identifier:2-[(Z)-(3-methyl-1,3-benzoxazol-2(3H)-ylidene)methyl]-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium
    H 2 C N O N O N O H 3 C N H N
    G9V
    Name:6-(but-3-en-1-yl)-4-[1-methyl-6-(morpholine-4-carbonyl)-1H-benzimidazol-4-yl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one
    Formula:C24 H25 N5 O3
    SMILES:c3c(cc(C1=CN(CC[C@H]=C)C(c2nccc12)=O)c4c3n(C)cn4)C(N5CCOCC5)=O
    InChi:InChI=1S/C24H25N5O3/c1-3-4-7-29-14-19(17-5-6-25-22(17)24(29)31)18-12-16(13-20-21(18)26-15-27(20)2)23(30)28-8-10-32-11-9-28/h3,5-6,12-15,25H,1,4,7-11H2,2H3
    Definition date:2018-11-14
    Last modified:2018-11-14
    Identifier:6-(but-3-en-1-yl)-4-[1-methyl-6-(morpholine-4-carbonyl)-1H-benzimidazol-4-yl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one
    OH Mo Mo Mo Mo Mo Mo OH OH HO OH OH + O + O OH OH HO OH OH O OH HO + O + O HO HO OH OH HO OH OH + O
    GUH
    Name:Mo6 cluster
    Formula:H20 Mo6 O26
    SMILES:O[Mo]1(O)(O)(O)[O+]2[Mo](O)(O)(O)(O)[O+]3[Mo]4(O)(O)(O)O[Mo]5(O)(O)(O)(O)[O+]6[Mo](O)(O)(O)(O)[O+]1[Mo]236(O)[O+]45
    InChi:InChI=1S/6Mo.20H2O.6O/h
    Definition date:2018-11-14
    Last modified:2018-11-14
    N N N CH 3 O NH O N N H
    GV2
    Name:3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-(oxan-4-yl)pyridine-4-carboxamide
    Formula:C28 H26 N6 O2
    SMILES:Cn1ccc2ccc(cc12)c3cc(Nc4cnccc4C(=O)NC5CCOCC5)cc6nccnc36
    InChi:InChI=1S/C28H26N6O2/c1-34-11-5-18-2-3-19(14-26(18)34)23-15-21(16-24-27(23)31-10-9-30-24)32-25-17-29-8-4-22(25)28(35)33-20-6-12-36-13-7-20/h2-5,8-11,14-17,20,32H,6-7,12-13H2,1H3,(H,33,35)
    Definition date:2018-11-14
    Last modified:2018-11-14
    Identifier:3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-(oxan-4-yl)pyridine-4-carboxamide
    O CH 3 N N N H N H 3 C O S H 3 C N
    GV5
    Name:8-[3-(dimethylamino)phenyl]-~{N}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine
    Formula:C22 H21 N5 O2 S
    SMILES:CN(C)c1cccc(c1)c2cc(Nc3cnccc3[S](C)(=O)=O)cc4nccnc24
    InChi:InChI=1S/C22H21N5O2S/c1-27(2)17-6-4-5-15(11-17)18-12-16(13-19-22(18)25-10-9-24-19)26-20-14-23-8-7-21(20)30(3,28)29/h4-14,26H,1-3H3
    Definition date:2018-11-14
    Last modified:2018-11-14
    Identifier:8-[3-(dimethylamino)phenyl]-~{N}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine
    N O H 3 C N H 3 C N H N O O S
    GV8
    Name:8-(3-methyl-1-benzofuran-5-yl)-~{N}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine
    Formula:C23 H18 N4 O3 S
    SMILES:Cc1coc2ccc(cc12)c3cc(Nc4cnccc4[S](C)(=O)=O)cc5nccnc35
    InChi:InChI=1S/C23H18N4O3S/c1-14-13-30-21-4-3-15(9-17(14)21)18-10-16(11-19-23(18)26-8-7-25-19)27-20-12-24-6-5-22(20)31(2,28)29/h3-13,27H,1-2H3
    Definition date:2018-11-14
    Last modified:2018-11-14
    Identifier:8-(3-methyl-1-benzofuran-5-yl)-~{N}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine
    HO HO HO OH + O + O O O OH HO Mo Mo Mo Mo Mo Mo Mo Mo HO HO + O HO OH + O OH + O OH O O HO HO O O + O + O OH
    GWN
    Name:Mo8 cluster
    Formula:H15 Mo8 O28
    SMILES:O[Mo]12(O)(O)O[Mo]34(O)(O)O[Mo]567(O)O[Mo]89(O)(O)O[Mo]%10(O)(O)(O)[O+]8[Mo]%11%12(O)(O[Mo]%13(O)(O)([O+]1[Mo](O)(O5)([O+]23)([O+]46)[O+]%11%13)[O+]%10%12)[O+]79
    InChi:InChI=1S/8Mo.15H2O.13O/h
    Definition date:2018-11-14
    Last modified:2018-11-14
    HO OH OH HO HO Mo
    GWW
    Name:pentakis(oxidanyl)molybdenum
    Formula:H5 Mo O5
    SMILES:O[Mo](O)(O)(O)O
    InChi:InChI=1S/Mo.5H2O/h
    Definition date:2018-11-14
    Last modified:2018-11-14
    Identifier:pentakis(oxidanyl)molybdenum
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