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CXX
CXX
表記:3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
組成式:C19 H23 Cl N2
SMILES:Clc1ccc3c(c1)N(c2ccccc2CC3)CCCN(C)C
InChi:InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
別名:3-chloro-5-(3-(dimethylamino)propyl)-10,11-dihydro-5H-dibenz[b,f]azepine
定義日:2007-06-07
最終更新日:2020-06-17
識別子（ID）:3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine
612
612
表記:6-(cyclohexylsulfanyl)-1-(ethoxymethyl)-5-(1-methylethyl)pyrimidine-2,4(1H,3H)-dione
組成式:C16 H26 N2 O3 S
SMILES:O=C2C(=C(SC1CCCCC1)N(C(=O)N2)COCC)C(C)C
InChi:InChI=1S/C16H26N2O3S/c1-4-21-10-18-15(22-12-8-6-5-7-9-12)13(11(2)3)14(19)17-16(18)20/h11-12H,4-10H2,1-3H3,(H,17,19,20)
別名:TNK-6123
定義日:1999-07-26
最終更新日:2020-06-17
識別子（ID）:6-(cyclohexylsulfanyl)-1-(ethoxymethyl)-5-(1-methylethyl)pyrimidine-2,4(1H,3H)-dione
E14
E14
表記:(4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but anoyl]-5,5-dimethyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
組成式:C34 H49 N5 O5 S
SMILES:O=C(NCC(C)C)C3N(C(=O)C(O)C(NC(=O)C(NC(=O)C(c1ccccc1)N)C(C)(C)C)Cc2ccccc2)CSC3(C)C
InChi:InChI=1S/C34H49N5O5S/c1-21(2)19-36-31(43)28-34(6,7)45-20-39(28)32(44)26(40)24(18-22-14-10-8-11-15-22)37-30(42)27(33(3,4)5)38-29(41)25(35)23-16-12-9-13-17-23/h8-17,21,24-28,40H,18-20,35H2,1-7H3,(H,36,43)(H,37,42)(H,38,41)/t24-,25-,26-,27+,28+/m0/s1
別名:KNI-10673
定義日:2010-02-05
最終更新日:2020-06-17
識別子（ID）:N~2~-[(2S)-2-amino-2-phenylacetyl]-N-[(2S,3S)-4-{(4R)-5,5-dimethyl-4-[(2-methylpropyl)carbamoyl]-1,3-thiazolidin-3-yl}-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-methyl-L-valinamide
E15
E15
表記:(4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but anoyl]-5,5-dimethyl-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide
組成式:C35 H51 N5 O5 S
SMILES:O=C(NC(C)C(C)C)C3N(C(=O)C(O)C(NC(=O)C(NC(=O)C(c1ccccc1)N)C(C)(C)C)Cc2ccccc2)CSC3(C)C
InChi:InChI=1S/C35H51N5O5S/c1-21(2)22(3)37-32(44)29-35(7,8)46-20-40(29)33(45)27(41)25(19-23-15-11-9-12-16-23)38-31(43)28(34(4,5)6)39-30(42)26(36)24-17-13-10-14-18-24/h9-18,21-22,25-29,41H,19-20,36H2,1-8H3,(H,37,44)(H,38,43)(H,39,42)/t22-,25+,26+,27+,28-,29-/m1/s1
別名:KNI-10681
定義日:2010-02-05
最終更新日:2020-06-17
識別子（ID）:N~2~-[(2S)-2-amino-2-phenylacetyl]-N-{(2S,3S)-4-[(4R)-5,5-dimethyl-4-{[(2R)-3-methylbutan-2-yl]carbamoyl}-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl}-3-methyl-L-valinamide
E16
E16
表記:(4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but anoyl]-N-[(2R)-3,3-dimethylbutan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
組成式:C36 H53 N5 O5 S
SMILES:O=C(NC(C)C(C)(C)C)C3N(C(=O)C(O)C(NC(=O)C(NC(=O)C(c1ccccc1)N)C(C)(C)C)Cc2ccccc2)CSC3(C)C
InChi:InChI=1S/C36H53N5O5S/c1-22(34(2,3)4)38-32(45)29-36(8,9)47-21-41(29)33(46)27(42)25(20-23-16-12-10-13-17-23)39-31(44)28(35(5,6)7)40-30(43)26(37)24-18-14-11-15-19-24/h10-19,22,25-29,42H,20-21,37H2,1-9H3,(H,38,45)(H,39,44)(H,40,43)/t22-,25+,26+,27+,28-,29-/m1/s1
別名:KNI-10683
定義日:2010-02-05
最終更新日:2020-06-17
識別子（ID）:N~2~-[(2S)-2-amino-2-phenylacetyl]-N-{(2S,3S)-4-[(4R)-4-{[(2R)-3,3-dimethylbutan-2-yl]carbamoyl}-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl}-3-methyl-L-valinamide
00N
00N
表記:(1S,7S)-7-amino-7-benzyl-N-{(1S)-4-carbamimidamido-1-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]butyl}-8-oxohexahydro-1H-pyra zolo[1,2-a]pyridazine-1-carboxamide
組成式:C24 H34 N8 O3 S
SMILES:O=C3N1N(CCC1C(=O)NC(C(O)c2nccs2)CCCNC(=[N@H])N)CCC3(N)Cc4ccccc4
InChi:InChI=1S/C24H34N8O3S/c25-23(26)29-10-4-7-17(19(33)21-28-11-14-36-21)30-20(34)18-8-12-31-13-9-24(27,22(35)32(18)31)15-16-5-2-1-3-6-16/h1-3,5-6,11,14,17-19,33H,4,7-10,12-13,15,27H2,(H,30,34)(H4,25,26,29)/t17-,18-,19-,24+/m0/s1
別名:MOL-127
定義日:2010-10-28
最終更新日:2020-06-17
識別子（ID）:(1S,7S)-7-amino-7-benzyl-N-[(1S,2S)-5-carbamimidamido-1-hydroxy-1-(1,3-thiazol-2-yl)pentan-2-yl]-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide
8DR
8DR
表記:(S)-2-(3-(benzo[c][1,2,5]thiadiazole-4-sulfonamido)thiophene-2-carboxamido)-5-guanidinopentanoic acid
組成式:C17 H19 N7 O5 S3
SMILES:O=C(O)C(NC(=O)c1sccc1NS(=O)(=O)c2cccc3nsnc23)CCCNC(=[N@H])N
InChi:InChI=1S/C17H19N7O5S3/c18-17(19)20-7-2-4-11(16(26)27)21-15(25)14-10(6-8-30-14)24-32(28,29)12-5-1-3-9-13(12)23-31-22-9/h1,3,5-6,8,11,24H,2,4,7H2,(H,21,25)(H,26,27)(H4,18,19,20)/t11-/m0/s1
別名:(2S)-2-[[3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)thiophen-2-yl]carbonylamino]-5-carbamimidamido-pentanoic acid
定義日:2009-07-14
最終更新日:2020-06-17
識別子（ID）:N~2~-({3-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]thiophen-2-yl}carbonyl)-L-arginine
PMY
PMY
表記:AGLYCON OF PEPLOMYCIN
組成式:C48 H67 N17 O10 S2
SMILES:O=C(N)C(N)CNC(c1nc(N)c(c(n1)C(=O)NC(C(=O)NC(C)C(O)C(C(=O)NC(C(=O)NCCc2nc(cs2)c4nc(C(=O)NCCCNC(c3ccccc3)C)cs4)C(O)C)C)C(O)c5ncnc5)C)CC(=O)N
InChi:InChI=1S/C48H67N17O10S2/c1-22-35(62-42(65-40(22)51)29(16-33(50)67)57-17-28(49)41(52)70)46(74)64-37(39(69)30-18-53-21-58-30)47(75)59-25(4)38(68)23(2)43(71)63-36(26(5)66)45(73)56-15-12-34-60-32(20-76-34)48-61-31(19-77-48)44(72)55-14-9-13-54-24(3)27-10-7-6-8-11-27/h6-8,10-11,18-21,23-26,28-29,36-39,54,57,66,68-69H,9,12-17,49H2,1-5H3,(H2,50,67)(H2,52,70)(H,53,58)(H,55,72)(H,56,73)(H,59,75)(H,63,71)(H,64,74)(H2,51,62,65)/t23-,24-,25+,26+,28-,29-,36-,37-,38-,39-/m0/s1
別名:AGLYCON OF (S)-N1-[3-[(1-PHENYLETHYL)AMINO]-PROPYL]BLEOMYCINAMIDE
定義日:1999-07-16
最終更新日:2020-06-17
識別子（ID）:2'-{(5S,8S,9S,10R,13S)-15-{6-amino-2-[(1S)-3-amino-1-{[(2S)-2,3-diamino-3-oxopropyl]amino}-3-oxopropyl]-5-methylpyrimidin-4-yl}-9-hydroxy-5-[(1R)-1-hydroxyethyl]-13-[(R)-hydroxy(1H-imidazol-4-yl)methyl]-8,10-dimethyl-4,7,12,15-tetraoxo-3,6,11,14-tetraazapentadec-1-yl}-N-(3-{[(1S)-1-phenylethyl]amino}propyl)-2,4'-bi-1,3-thiazole-4-carboxamide (non-preferred name)
RHE
RHE
表記:rhenium (IV) hexachloride
組成式:Cl6 Re
SMILES:Cl[Re](Cl)(Cl)(Cl)(Cl)Cl
InChi:InChI=1S/6ClH.Re/h6*1H
別名:hexachlororhenate ion
定義日:2010-03-22
最終更新日:2020-06-17
識別子（ID）:rhenium(6+) hexachloride
DR6
DR6
表記:ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)
組成式:C74 H142 O31
SMILES:OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1ccc(cc1)C(CC(C)(C)C)(C)C
InChi:InChI=1S/C74H142O31/c1-73(2,3)70-74(4,5)71-6-8-72(9-7-71)105-69-68-104-67-66-103-65-64-102-63-62-101-61-60-100-59-58-99-57-56-98-55-54-97-53-52-96-51-50-95-49-48-94-47-46-93-45-44-92-43-42-91-41-40-90-39-38-89-37-36-88-35-34-87-33-32-86-31-30-85-29-28-84-27-26-83-25-24-82-23-22-81-21-20-80-19-18-79-17-16-78-15-14-77-13-12-76-11-10-75/h6-9,75H,10-70H2,1-5H3
別名:OCTYLPHENOXYPOLYETHOXYETHANOL
定義日:2005-03-16
最終更新日:2020-05-27
識別子（ID）:89-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87-nonacosaoxanonaoctacontan-1-ol
OBV
OBV
表記:12,18-DIDECARBOXY-SIROHEME
組成式:C40 H44 Fe N4 O12
SMILES:O=C(O)CCC=1C=6[N+]3=C(C=1C)C=C8N5C(=CC7=[N+]4C(=Cc2c(c(c(n2[Fe]345)C=6)CCC(=O)O)C)C(CCC(=O)O)C7(C)CC(=O)O)C(CCC(=O)O)C8(C)CC(=O)O
InChi:InChI=1S/C40H46N4O12.Fe/c1-19-21(5-9-33(45)46)27-14-28-22(6-10-34(47)48)20(2)26(42-28)15-31-40(4,18-38(55)56)24(8-12-36(51)52)30(44-31)16-32-39(3,17-37(53)54)23(7-11-35(49)50)29(43-32)13-25(19)41-27
定義日:2014-05-23
最終更新日:2019-09-04
公開日:2014-06-11
識別子（ID）:{3,3',3'',3'''-[(7R,8S,12R,13S)-8,13-bis(carboxymethyl)-3,8,13,17-tetramethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl-kappa~4~N~21~,N~22~,N~23~,N~24~]tetrapropanoato(2-)}iron(2+)
JOQ
JOQ
表記:[4-(aminomethyl)phenyl]methyl ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate
組成式:C13 H15 N3 O4
SMILES:NCc1ccc(COC(=O)N[CH]2CC(=O)NC2=O)cc1
InChi:InChI=1S/C13H15N3O4/c14-6-8-1-3-9(4-2-8)7-20-13(19)15-10-5-11(17)16-12(10)18/h1-4,10H,5-7,14H2,(H,15,19)(H,16,17,18)/t10-/m0/s1
定義日:2019-03-14
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:[4-(aminomethyl)phenyl]methyl ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate
6LA
6LA
表記:methyl 2-(acetylamino)-4,6-O-[(1S)-1-carboxyethylidene]-2-deoxy-beta-D-mannopyranoside
組成式:C12 H19 N O8
SMILES:CC(=O)NC2C(O)C1OC(C(O)=O)(C)OCC1OC2OC
InChi:InChI=1S/C12H19NO8/c1-5(14)13-7-8(15)9-6(20-10(7)18-3)4-19-12(2,21-9)11(16)17/h6-10,15H,4H2,1-3H3,(H,13,14)(H,16,17)/t6-,7+,8-,9-,10-,12+/m1/s1
定義日:2016-04-28
最終更新日:2018-08-10
公開日:2018-08-15
識別子（ID）:methyl 2-(acetylamino)-4,6-O-[(1S)-1-carboxyethylidene]-2-deoxy-beta-D-mannopyranoside
GH7
GH7
表記:(3S,3aR,6aS)-hexahydrofuro[3,2-d][1,2]oxazole-3-carboxylic acid
組成式:C6 H9 N O4
SMILES:N1C(C2C(O1)OCC2)C(O)=O
InChi:InChI=1S/C6H9NO4/c8-5(9)4-3-1-2-10-6(3)11-7-4/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+,6+/m1/s1
定義日:2018-05-21
最終更新日:2018-07-20
公開日:2018-07-25
識別子（ID）:(3S,3aR,6aS)-hexahydrofuro[3,2-d][1,2]oxazole-3-carboxylic acid
F3Z
F3Z
表記:(3~{R})-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-~{N}-(3-pyridin-4-yl-1~{H}-indazol-5-yl)pyrrolidine-3-carboxamide
組成式:C33 H33 N9 O2
SMILES:O=C(CN1CC[CH](C1)C(=O)Nc2ccc3[nH]nc(c4ccncc4)c3c2)N5CCN(CC5)c6ccc(cc6)c7ncccn7
InChi:InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1
定義日:2018-05-24
最終更新日:2018-05-25
公開日:2018-05-30
識別子（ID）:(3~{R})-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-~{N}-(3-pyridin-4-yl-1~{H}-indazol-5-yl)pyrrolidine-3-carboxamide
IT1
IT1
表記:(2S)-2-amino-6-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]hexanoic acid
組成式:C14 H22 N3 O7 P
SMILES:c1(ncc(c(c1O)C=NCCCCC(N)C(O)=O)COP(=O)(O)O)C
InChi:InChI=1S/C14H22N3O7P/c1-9-13(18)11(10(6-17-9)8-24-25(21,22)23)7-16-5-3-2-4-12(15)14(19)20/h6-7,12,18H,2-5,8,15H2,1H3,(H,19,20)(H2,21,22,23)/b16-7+/t12-/m0/s1
定義日:2008-01-03
最終更新日:2018-01-10
識別子（ID）:(E)-N~6~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-lysine
C82
C82
表記:~{N}-(4-chlorophenyl)-1~{H}-1,2,3-triazol-5-amine
組成式:C8 H7 Cl N4
SMILES:Clc1ccc(Nc2[nH]nnc2)cc1
InChi:InChI=1S/C8H7ClN4/c9-6-1-3-7(4-2-6)11-8-5-10-13-12-8/h1-5H,(H2,10,11,12,13)
定義日:2017-11-17
最終更新日:2017-12-22
公開日:2017-12-27
識別子（ID）:~{N}-(4-chlorophenyl)-1~{H}-1,2,3-triazol-5-amine
AVH
AVH
表記:(1R,2R,4R)-4-ethenylcyclohexane-1,2-diol
組成式:C8 H14 O2
SMILES:C1(CCC(C=C)CC1O)O
InChi:InChI=1S/C8H14O2/c1-2-6-3-4-7(9)8(10)5-6/h2,6-10H,1,3-5H2/t6-,7?,8-/m1/s1
定義日:2016-11-11
最終更新日:2017-10-06
公開日:2017-10-11
識別子（ID）:(1R,2R,4R)-4-ethenylcyclohexane-1,2-diol
DVH
DVH
表記:(1S,2S,4R)-4-ethenylcyclohexane-1,2-diol
組成式:C8 H14 O2
SMILES:C1(CCC(C=C)CC1O)O
InChi:InChI=1S/C8H14O2/c1-2-6-3-4-7(9)8(10)5-6/h2,6-10H,1,3-5H2/t6-,7+,8+/m1/s1
定義日:2016-11-11
最終更新日:2017-10-06
公開日:2017-10-11
識別子（ID）:(1S,2S,4R)-4-ethenylcyclohexane-1,2-diol
BVH
BVH
表記:(1R,2R,4S)-4-ethenylcyclohexane-1,2-diol
組成式:C8 H14 O2
SMILES:C1(CCC(C=C)CC1O)O
InChi:InChI=1S/C8H14O2/c1-2-6-3-4-7(9)8(10)5-6/h2,6-10H,1,3-5H2/t6-,7+,8+/m0/s1
定義日:2016-11-11
最終更新日:2017-10-06
公開日:2017-10-11
識別子（ID）:(1R,2R,4S)-4-ethenylcyclohexane-1,2-diol
8MD
8MD
表記:(1S,2S,4S)-4-ethenylcyclohexane-1,2-diol
組成式:C8 H14 O2
SMILES:C1(CCC(C=C)CC1O)O
InChi:InChI=1S/C8H14O2/c1-2-6-3-4-7(9)8(10)5-6/h2,6-10H,1,3-5H2/t6-,7+,8-/m0/s1
定義日:2017-02-17
最終更新日:2017-10-06
公開日:2017-10-11
識別子（ID）:(1S,2S,4S)-4-ethenylcyclohexane-1,2-diol
F43
F43
表記:FACTOR 430
組成式:C42 H51 N6 Ni O13
SMILES:C[C]1(CC(N)=O)[CH](CCC(O)=O)[CH]2C[C]34NC(=O)C[C]3(C)[CH](CCC(O)=O)C5=N4|[Ni+]|67|N2=C1C[CH]8N|6=C9[CH](CCC(=O)C9=C%10[CH](CCC(O)=O)[CH](CC(O)=O)C(=C5)[N]7%10)[CH]8CC(O)=O
InChi:InChI=1S/C42H52N6O13.Ni/c1-40(16-30(43)50)22(5-9-33(54)55)27-15-42-41(2,17-31(51)48-42)23(6-10-34(56)57)26(47-42)13-24-20(11-35(58)59)19(4-8-32(52)53)39(45-24)37-28(49)7-3-18-21(12-36(60)61)25(46-38(18)37)14-29(40)44-27
定義日:1999-07-08
最終更新日:2017-02-07
VRT
VRT
表記:2'-(L-NORVALYL)AMINO-2'-DEOXYADENOSINE
組成式:C15 H23 N7 O4
SMILES:CCC[CH](N)C(=O)N[CH]1[CH](O)[CH](CO)O[CH]1n2cnc3c(N)ncnc23
InChi:InChI=1S/C15H23N7O4/c1-2-3-7(16)14(25)21-9-11(24)8(4-23)26-15(9)22-6-20-10-12(17)18-5-19-13(10)22/h5-9,11,15,23-24H,2-4,16H2,1H3,(H,21,25)(H2,17,18,19)/t7-,8+,9+,11+,15+/m0/s1
定義日:2015-11-23
最終更新日:2016-07-29
公開日:2016-08-03
識別子（ID）:N-[(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-2-azanyl-pentanamide
6J4
6J4
表記:COENZYME F420-3
組成式:C34 H43 N6 O21 P
SMILES:C(=O)(C(C)OP(O)(=O)OCC(C(C(O)CN2c1cc(O)ccc1C=C3C2=NC(NC3=O)=O)O)O)NC(C(O)=O)CCC(=O)NC(C(=O)O)CCC(NC(CCC(=O)O)C(=O)O)=O
InChi:InChI=1S/C34H43N6O21P/c1-14(29(49)37-20(33(55)56)5-8-25(45)35-18(31(51)52)4-7-24(44)36-19(32(53)54)6-9-26(46)47)61-62(58,59)60-13-23(43)27(48)22(42)12-40-21-11-16(41)3-2-15(21)10-17-28(40)38-34(57)39-30(17)50/h2-3,10-11,14,18-20,22-23,27,41-43,48H,4-9,12-13H2,1H3,(H,35,45)(H,36,44)(H,37,49)(H,46,47)(H,51,52)(H,53,54)(H,55,56)(H,58,59)(H,39,50,57)/t14-,18-,19-,20-,22-,23+,27-/m0/s1
定義日:2016-04-12
最終更新日:2016-07-08
公開日:2016-07-13
識別子（ID）:(3S,8S,13S,16S,18S,21R,22S,23S)-18,21,22,23-tetrahydroxy-24-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-16-methyl-5,10,15-trioxo-17,19-dioxa-4,9,14-triaza-18-phosphatetracosane-1,3,8,13-tetracarboxylic acid 18-oxide (non-preferred name)
67M
67M
表記:(2R)-2-[({1-[3-({(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2H-pyran-2-yl}oxy)propyl]-1H-1,2,3-triazol-4-yl}methyl)(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid (non-preferred name)
組成式:C37 H47 N5 O13 S
SMILES:O=C(NC1C(OC(C(C1OC(C)=O)OC(C)=O)COC(C)=O)OCCCn2cc(nn2)CN(S(=O)(=O)c3ccc(cc3)c4ccccc4)C(C(C)C)C(=O)O)C
InChi:InChI=1S/C37H47N5O13S/c1-22(2)33(36(47)48)42(56(49,50)30-15-13-28(14-16-30)27-11-8-7-9-12-27)20-29-19-41(40-39-29)17-10-18-51-37-32(38-23(3)43)35(54-26(6)46)34(53-25(5)45)31(55-37)21-52-24(4)44/h7-9,11-16,19,22,31-35,37H,10,17-18,20-21H2,1-6H3,(H,38,43)(H,47,48)/t31-,32-,33-,34-,35-,37-/m1/s1
定義日:2016-02-12
最終更新日:2016-07-01
公開日:2016-07-06
識別子（ID）:(2R)-2-[({1-[3-({(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2H-pyran-2-yl}oxy)propyl]-1H-1,2,3-triazol-4-yl}methyl)(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid (non-preferred name)

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