Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
EZC
EZC
表記:2-[[(2~{R})-2-butyl-6,7-bis(chloranyl)-2-cyclopentyl-1-oxidanylidene-3~{H}-inden-5-yl]oxy]ethanoic acid
組成式:C20 H24 Cl2 O4
SMILES:CCCC[C]1(Cc2cc(OCC(O)=O)c(Cl)c(Cl)c2C1=O)C3CCCC3
InChi:InChI=1S/C20H24Cl2O4/c1-2-3-8-20(13-6-4-5-7-13)10-12-9-14(26-11-15(23)24)17(21)18(22)16(12)19(20)25/h9,13H,2-8,10-11H2,1H3,(H,23,24)/t20-/m1/s1
定義日:2020-02-27
最終更新日:2020-10-30
公開日:2020-11-04
識別子（ID）:2-[[(2~{R})-2-butyl-6,7-bis(chloranyl)-2-cyclopentyl-1-oxidanylidene-3~{H}-inden-5-yl]oxy]ethanoic acid
N28
N28
表記:4-[[[4-(aminomethyl)phenyl]carbamoyl-(4-oxidanylbutyl)amino]methyl]-~{N}-oxidanyl-benzamide
組成式:C20 H26 N4 O4
SMILES:NCc1ccc(NC(=O)N(CCCCO)Cc2ccc(cc2)C(=O)NO)cc1
InChi:InChI=1S/C20H26N4O4/c21-13-15-5-9-18(10-6-15)22-20(27)24(11-1-2-12-25)14-16-3-7-17(8-4-16)19(26)23-28/h3-10,25,28H,1-2,11-14,21H2,(H,22,27)(H,23,26)
定義日:2019-11-07
最終更新日:2020-10-30
公開日:2020-11-04
識別子（ID）:4-[[[4-(aminomethyl)phenyl]carbamoyl-(4-oxidanylbutyl)amino]methyl]-~{N}-oxidanyl-benzamide
Q3W
Q3W
表記:Carborane nido-butyl-sulfonamide
組成式:C6 H10 B9 N O2 S
SMILES:N[S](=O)(=O)CCCC[C+]123[B-]45[B-]67[B+]89[C]1%10[B]8%11%12[B]69%13[B]47%14[B]25%15[B]3%10%11[B]%12%13%14%15
InChi:InChI=1S/C6H10B9NO2S/c16-19(17,18)4-2-1-3-6-5-7-9-8(6)12(6)10(5,6)11(5,7)13(7,9)14(8,9,12)15(10,11,12)13/h1-4H2,(H2,16,17,18)
定義日:2020-05-07
最終更新日:2020-10-28
公開日:2020-10-28
YD4
YD4
表記:4-({[(3R,4R)-4-{[3-methyl-5-(5-methylpyridin-3-yl)-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl]amino}piperidin-3-yl]oxy}methyl)-1lambda~6~-thiane-1,1-dione
組成式:C26 H33 N5 O4 S
SMILES:O=C1Nc3c(C=C1C)c(c2cc(cnc2)C)cnc3NC5C(OCC4CCS(=O)(=O)CC4)CNCC5
InChi:InChI=1S/C26H33N5O4S/c1-16-9-19(12-28-11-16)21-13-29-25(24-20(21)10-17(2)26(32)31-24)30-22-3-6-27-14-23(22)35-15-18-4-7-36(33,34)8-5-18/h9-13,18,22-23,27H,3-8,14-15H2,1-2H3,(H,29,30)(H,31,32)/t22-,23-/m1/s1
定義日:2017-12-05
最終更新日:2020-10-23
公開日:2020-10-28
識別子（ID）:4-({[(3R,4R)-4-{[3-methyl-5-(5-methylpyridin-3-yl)-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl]amino}piperidin-3-yl]oxy}methyl)-1lambda~6~-thiane-1,1-dione
RWS
RWS
表記:1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine
組成式:C8 H13 N3 S
SMILES:n1nc(C)sc1N2CCCCC2
InChi:InChI=1S/C8H13N3S/c1-7-9-10-8(12-7)11-5-3-2-4-6-11/h2-6H2,1H3
定義日:2020-02-28
最終更新日:2020-10-23
公開日:2020-10-28
識別子（ID）:1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine
RWV
RWV
表記:1-{1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methanamine
組成式:C11 H19 N3 S
SMILES:N1(CCC(CC1)CN)Cc2csc(n2)C
InChi:InChI=1S/C11H19N3S/c1-9-13-11(8-15-9)7-14-4-2-10(6-12)3-5-14/h8,10H,2-7,12H2,1H3
定義日:2020-02-28
最終更新日:2020-10-23
公開日:2020-10-28
識別子（ID）:1-{1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methanamine
RX7
RX7
表記:2-methyl-2-{[(3-methylthiophen-2-yl)methyl]amino}propan-1-ol
組成式:C10 H17 N O S
SMILES:c1(c(C)ccs1)CNC(C)(C)CO
InChi:InChI=1S/C10H17NOS/c1-8-4-5-13-9(8)6-11-10(2,3)7-12/h4-5,11-12H,6-7H2,1-3H3
定義日:2020-02-28
最終更新日:2020-10-23
公開日:2020-10-28
識別子（ID）:2-methyl-2-{[(3-methylthiophen-2-yl)methyl]amino}propan-1-ol
RXG
RXG
表記:2-(4-fluorophenoxy)-1-(1H-pyrrol-1-yl)ethan-1-one
組成式:C12 H10 F N O2
SMILES:C(Oc1ccc(cc1)F)C(=O)n2cccc2
InChi:InChI=1S/C12H10FNO2/c13-10-3-5-11(6-4-10)16-9-12(15)14-7-1-2-8-14/h1-8H,9H2
定義日:2020-02-28
最終更新日:2020-10-23
公開日:2020-10-28
識別子（ID）:2-(4-fluorophenoxy)-1-(1H-pyrrol-1-yl)ethan-1-one
RXJ
RXJ
表記:4-(4-methylpiperazin-1-yl)benzonitrile
組成式:C12 H15 N3
SMILES:N2(c1ccc(cc1)C#N)CCN(CC2)C
InChi:InChI=1S/C12H15N3/c1-14-6-8-15(9-7-14)12-4-2-11(10-13)3-5-12/h2-5H,6-9H2,1H3
定義日:2020-02-28
最終更新日:2020-10-23
公開日:2020-10-28
識別子（ID）:4-(4-methylpiperazin-1-yl)benzonitrile
RXS
RXS
表記:3-[(2-methyl-1H-imidazol-1-yl)methyl]benzonitrile
組成式:C12 H11 N3
SMILES:n2(Cc1cc(ccc1)C#N)c(ncc2)C
InChi:InChI=1S/C12H11N3/c1-10-14-5-6-15(10)9-12-4-2-3-11(7-12)8-13/h2-7H,9H2,1H3
定義日:2020-02-28
最終更新日:2020-10-23
公開日:2020-10-28
識別子（ID）:3-[(2-methyl-1H-imidazol-1-yl)methyl]benzonitrile
R6H
R6H
表記:~{N}-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoranyl-phenyl]-4-ethoxy-1-(4-fluoranyl-2-methyl-phenyl)pyrazole-3-carboxamide
組成式:C30 H26 F2 N4 O5
SMILES:CCOc1cn(nc1C(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)c(F)c2)c5ccc(F)cc5C
InChi:InChI=1S/C30H26F2N4O5/c1-5-40-28-16-36(23-8-6-18(31)12-17(23)2)35-29(28)30(37)34-19-7-9-25(21(32)13-19)41-24-10-11-33-22-15-27(39-4)26(38-3)14-20(22)24/h6-16H,5H2,1-4H3,(H,34,37)
定義日:2020-09-07
最終更新日:2020-10-23
公開日:2020-10-28
識別子（ID）:~{N}-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoranyl-phenyl]-4-ethoxy-1-(4-fluoranyl-2-methyl-phenyl)pyrazole-3-carboxamide
R6N
R6N
表記:4-[2-(butylamino)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol
組成式:C28 H40 N6 O
SMILES:CCCCNc1ncc2c(n1)n(cc2c3ccc(CN4CCN(C)CC4)cc3)[CH]5CC[CH](O)CC5
InChi:InChI=1S/C28H40N6O/c1-3-4-13-29-28-30-18-25-26(20-34(27(25)31-28)23-9-11-24(35)12-10-23)22-7-5-21(6-8-22)19-33-16-14-32(2)15-17-33/h5-8,18,20,23-24,35H,3-4,9-17,19H2,1-2H3,(H,29,30,31)/t23-,24-
定義日:2020-09-07
最終更新日:2020-10-23
公開日:2020-10-28
識別子（ID）:4-[2-(butylamino)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol
W4D
W4D
表記:3-benzyl-6-(1H-pyrazol-4-yl)quinazolin-4(3H)-one
組成式:C18 H14 N4 O
SMILES:c1ccc(cc1)CN3C=Nc2ccc(cc2C3=O)c4cnnc4
InChi:InChI=1S/C18H14N4O/c23-18-16-8-14(15-9-20-21-10-15)6-7-17(16)19-12-22(18)11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,20,21)
定義日:2020-09-27
最終更新日:2020-10-23
公開日:2020-10-28
識別子（ID）:3-benzyl-6-(1H-pyrazol-4-yl)quinazolin-4(3H)-one
W4G
W4G
表記:3-benzyl-7-(1H-pyrazol-4-yl)quinazolin-4(3H)-one
組成式:C18 H14 N4 O
SMILES:C3(c2ccc(c1cnnc1)cc2N=CN3Cc4ccccc4)=O
InChi:InChI=1S/C18H14N4O/c23-18-16-7-6-14(15-9-20-21-10-15)8-17(16)19-12-22(18)11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,20,21)
定義日:2020-09-28
最終更新日:2020-10-23
公開日:2020-10-28
識別子（ID）:3-benzyl-7-(1H-pyrazol-4-yl)quinazolin-4(3H)-one
R72
R72
表記:4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-oxidanyl-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide
組成式:C32 H42 N6 O3
SMILES:CC1(C)CCN(CC1)Cc2ccc(c(O)c2)C(=O)NC[C]3(O)CCCN(C3)c4cc(NCc5ccccc5)ncn4
InChi:InChI=1S/C32H42N6O3/c1-31(2)12-15-37(16-13-31)20-25-9-10-26(27(39)17-25)30(40)34-21-32(41)11-6-14-38(22-32)29-18-28(35-23-36-29)33-19-24-7-4-3-5-8-24/h3-5,7-10,17-18,23,39,41H,6,11-16,19-22H2,1-2H3,(H,34,40)(H,33,35,36)/t32-/m1/s1
定義日:2020-09-10
最終更新日:2020-10-23
公開日:2020-10-28
識別子（ID）:4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-oxidanyl-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide
R75
R75
表記:[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone
組成式:C17 H12 Br2 O3
SMILES:CCc1oc2ccccc2c1C(=O)c3cc(Br)c(O)c(Br)c3
InChi:InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3
別名:Benzbromarone
定義日:2020-09-14
最終更新日:2020-10-23
公開日:2020-10-28
識別子（ID）:[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone
QSG
QSG
表記:(2R,3R)-N-[(1-{(3S,3aR,6S,6aR)-6-[4-({[(2R,3R)-2,3-dihydroxy-4-oxo-4-{[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]amino}butanoyl]amino}methyl)-1H-1,2,3-triazol-1-yl]hexahydrofuro[3,2-b]furan-3-yl}-1H-1,2,3-triazol-4-yl)methyl]-2,3-dihydroxy-N'-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]butanediamide (non-preferred name)
組成式:C32 H48 N10 O20
SMILES:N(Cc5nnn(C4C3C(C(n2nnc(CNC(C(C(C(NC1C(C(C(C(CO)O1)O)O)O)=O)O)O)=O)c2)CO3)OC4)c5)C(C(C(C(NC6C(C(C(C(CO)O6)O)O)O)=O)O)O)=O
InChi:InChI=1S/C32H48N10O20/c43-5-13-15(45)17(47)23(53)31(61-13)35-29(57)21(51)19(49)27(55)33-1-9-3-41(39-37-9)11-7-59-26-12(8-60-25(11)26)42-4-10(38-40-42)2-34-28(56)20(50)22(52)30(58)36-32-24(54)18(48)16(46)14(6-44)62-32/h3-4,11-26,31-32,43-54H,1-2,5-8H2,(H,33,55)(H,34,56)(H,35,57)(H,36,58)/t11-,12-,13+,14+,15-,16-,17-,18+,19+,20+,21+,22+,23+,24+,25+,26+,31+,32+/m0/s1
定義日:2019-12-16
最終更新日:2020-10-23
公開日:2020-10-28
識別子（ID）:(2R,3R)-N-[(1-{(3S,3aR,6S,6aR)-6-[4-({[(2R,3R)-2,3-dihydroxy-4-oxo-4-{[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]amino}butanoyl]amino}methyl)-1H-1,2,3-triazol-1-yl]hexahydrofuro[3,2-b]furan-3-yl}-1H-1,2,3-triazol-4-yl)methyl]-2,3-dihydroxy-N'-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]butanediamide (non-preferred name)
QTY
QTY
表記:N-[[1-[(3S,3aR,6S,6aR)-6-[4-[[[4-[[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]amino]-4-oxidanylidene-butanoyl]amino]methyl]-1,2,3-triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,2,3-triazol-4-yl]methyl]-N'-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]butanediamide
組成式:C32 H48 N10 O16
SMILES:C1(C(C(O)C(O)C(O1)CO)O)NC(=O)CCC(NCc2nnn(c2)C3COC6C3OCC6n4nnc(c4)CNC(=O)CCC(NC5OC(CO)C(C(C5O)O)O)=O)=O
InChi:InChI=1S/C32H48N10O16/c43-9-17-23(49)25(51)27(53)31(57-17)35-21(47)3-1-19(45)33-5-13-7-41(39-37-13)15-11-55-30-16(12-56-29(15)30)42-8-14(38-40-42)6-34-20(46)2-4-22(48)36-32-28(54)26(52)24(50)18(10-44)58-32/h7-8,15-18,23-32,43-44,49-54H,1-6,9-12H2,(H,33,45)(H,34,46)(H,35,47)(H,36,48)/t15-,16-,17+,18+,23-,24-,25-,26-,27+,28+,29+,30+,31+,32+/m0/s1
定義日:2019-12-20
最終更新日:2020-10-23
公開日:2020-10-28
識別子（ID）:N~1~,N~1'~-[(3S,3aR,6S,6aR)-hexahydrofuro[3,2-b]furan-3,6-diylbis(1H-1,2,3-triazole-1,4-diylmethanediyl)]bis{N~4~-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]butanediamide} (non-preferred name)
RMW
RMW
表記:[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-2,2-dimethyl-4-[[3-[2-[(1~{R})-2-(1-methylpyridin-4-yl)-1-naphthalen-1-yl-ethyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
組成式:C39 H52 N8 O16 P3 S
SMILES:C[n+]1ccc(C[CH](SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O[P](O)(O)=O)n3cnc4c(N)ncnc34)c5cccc6ccccc56)cc1
InChi:InChI=1S/C39H51N8O16P3S/c1-39(2,21-60-66(57,58)63-65(55,56)59-20-28-33(62-64(52,53)54)32(49)38(61-28)47-23-45-31-35(40)43-22-44-36(31)47)34(50)37(51)42-14-11-30(48)41-15-18-67-29(19-24-12-16-46(3)17-13-24)27-10-6-8-25-7-4-5-9-26(25)27/h4-10,12-13,16-17,22-23,28-29,32-34,38,49-50H,11,14-15,18-21H2,1-3H3,(H7-,40,41,42,43,44,48,51,52,53,54,55,56,57,58)/p+1/t28-,29-,32-,33-,34+,38-/m1/s1
定義日:2020-10-09
最終更新日:2020-10-23
公開日:2020-10-28
識別子（ID）:[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-2,2-dimethyl-4-[[3-[2-[(1~{R})-2-(1-methylpyridin-1-ium-4-yl)-1-naphthalen-1-yl-ethyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
RN2
RN2
表記:Calpeptin
組成式:C20 H32 N2 O4
SMILES:CCCC[CH](CO)NC(=O)[CH](CC(C)C)NC(=O)OCc1ccccc1
InChi:InChI=1S/C20H32N2O4/c1-4-5-11-17(13-23)21-19(24)18(12-15(2)3)22-20(25)26-14-16-9-7-6-8-10-16/h6-10,15,17-18,23H,4-5,11-14H2,1-3H3,(H,21,24)(H,22,25)/t17-,18-/m0/s1
定義日:2020-10-09
最終更新日:2020-10-23
公開日:2020-10-28
識別子（ID）:(phenylmethyl) ~{N}-[(2~{S})-4-methyl-1-[[(2~{S})-1-oxidanylhexan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamate
U4G
U4G
表記:N-octylguanidine
組成式:C9 H21 N3
SMILES:C(C)CCCCCCNC(N)=N
InChi:InChI=1S/C9H21N3/c1-2-3-4-5-6-7-8-12-9(10)11/h2-8H2,1H3,(H4,10,11,12)
定義日:2020-04-16
最終更新日:2020-10-23
公開日:2020-10-28
識別子（ID）:N-octylguanidine
QWG
QWG
表記:(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-({[(1-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxytetrahydro-2H-pyran-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl]sulfanyl}methyl)tetrahydro-2H-pyran-2-yl]sulfanyl}tetrahydro-2H-pyran-3,4,5-triol (non-preferred name)
組成式:C22 H37 N3 O14 S2
SMILES:n1nn(cc1CSCC2C(C(C(C(O2)SC3C(C(C(C(CO)O3)O)O)O)O)O)O)CC4C(O)C(O)C(C(OC)O4)O
InChi:InChI=1S/C22H37N3O14S2/c1-36-20-17(33)14(30)11(27)8(37-20)3-25-2-7(23-24-25)5-40-6-10-13(29)16(32)19(35)22(39-10)41-21-18(34)15(31)12(28)9(4-26)38-21/h2,8-22,26-35H,3-6H2,1H3/t8-,9-,10-,11-,12+,13-,14+,15+,16+,17-,18-,19-,20+,21+,22+/m1/s1
定義日:2020-01-08
最終更新日:2020-10-23
公開日:2020-10-28
識別子（ID）:(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-({[(1-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxytetrahydro-2H-pyran-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl]sulfanyl}methyl)tetrahydro-2H-pyran-2-yl]sulfanyl}tetrahydro-2H-pyran-3,4,5-triol (non-preferred name)
QWJ
QWJ
表記:6-S-(prop-2-yn-1-yl)-6-thio-beta-D-glucopyranosyl 1-thio-beta-D-galactopyranoside
組成式:C15 H24 O9 S2
SMILES:C1(C(O)C(C(OC1CO)SC2C(C(C(C(CSCC#C)O2)O)O)O)O)O
InChi:InChI=1S/C15H24O9S2/c1-2-3-25-5-7-9(18)11(20)13(22)15(24-7)26-14-12(21)10(19)8(17)6(4-16)23-14/h1,6-22H,3-5H2/t6-,7-,8+,9-,10+,11+,12-,13-,14+,15+/m1/s1
定義日:2020-01-08
最終更新日:2020-10-23
公開日:2020-10-28
識別子（ID）:6-S-(prop-2-yn-1-yl)-6-thio-beta-D-glucopyranosyl 1-thio-beta-D-galactopyranoside
S3W
S3W
表記:N-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-N'-[(1-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxytetrahydro-2H-pyran-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl]butanediamide
組成式:C20 H33 N5 O12
SMILES:n2c(CNC(CCC(NC1C(C(C(O)C(CO)O1)O)O)=O)=O)cn(n2)CC3C(O)C(C(C(OC)O3)O)O
InChi:InChI=1S/C20H33N5O12/c1-35-20-18(34)16(32)13(29)9(37-20)6-25-5-8(23-24-25)4-21-11(27)2-3-12(28)22-19-17(33)15(31)14(30)10(7-26)36-19/h5,9-10,13-20,26,29-34H,2-4,6-7H2,1H3,(H,21,27)(H,22,28)/t9-,10+,13-,14+,15+,16+,17-,18-,19-,20+/m1/s1
定義日:2019-12-18
最終更新日:2020-10-23
公開日:2020-10-28
識別子（ID）:N-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-N'-[(1-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxytetrahydro-2H-pyran-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl]butanediamide (non-preferred name)
O0Z
O0Z
表記:(2~{S})-2-(butylamino)-3-(1~{H}-indol-3-yl)-~{N}-[2-[(4~{R})-1-(phenylmethyl)azepan-4-yl]ethyl]propanamide
組成式:C30 H42 N4 O
SMILES:CCCCN[CH](Cc1c[nH]c2ccccc12)C(=O)NCC[CH]3CCCN(CC3)Cc4ccccc4
InChi:InChI=1S/C30H42N4O/c1-2-3-17-31-29(21-26-22-33-28-14-8-7-13-27(26)28)30(35)32-18-15-24-12-9-19-34(20-16-24)23-25-10-5-4-6-11-25/h4-8,10-11,13-14,22,24,29,31,33H,2-3,9,12,15-21,23H2,1H3,(H,32,35)/t24-,29+/m1/s1
定義日:2020-01-16
最終更新日:2020-10-23
公開日:2020-10-28
識別子（ID）:(2~{S})-2-(butylamino)-3-(1~{H}-indol-3-yl)-~{N}-[2-[(4~{R})-1-(phenylmethyl)azepan-4-yl]ethyl]propanamide

223790

件を2024-08-14に公開中

PDB statisticsPDBj update infoContact PDBjnumon