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KAF
KAF
表記:N-{(5S)-4,4-dihydroxy-6-phenyl-5-[(phenylcarbonyl)amino]hexanoyl}-L-phenylalanine
組成式:C28 H30 N2 O6
SMILES:O=C(O)C(NC(=O)CCC(O)(O)C(NC(=O)c1ccccc1)Cc2ccccc2)Cc3ccccc3
InChi:InChI=1S/C28H30N2O6/c31-25(29-23(27(33)34)18-20-10-4-1-5-11-20)16-17-28(35,36)24(19-21-12-6-2-7-13-21)30-26(32)22-14-8-3-9-15-22/h1-15,23-24,35-36H,16-19H2,(H,29,31)(H,30,32)(H,33,34)/t23-,24-/m0/s1
定義日:2007-12-18
最終更新日:2011-06-04
識別子（ID）:N-{(5S)-4,4-dihydroxy-6-phenyl-5-[(phenylcarbonyl)amino]hexanoyl}-L-phenylalanine
KAG
KAG
表記:2'-DEOXY-N-[(1S)-1-METHYL-3-OXOPROPYL]GUANOSINE 5'-PHOSPHATE
組成式:C14 H20 N5 O8 P
SMILES:O=CCC(NC3=Nc1c(ncn1C2OC(C(O)C2)COP(=O)(O)O)C(=O)N3)C
InChi:InChI=1S/C14H20N5O8P/c1-7(2-3-20)16-14-17-12-11(13(22)18-14)15-6-19(12)10-4-8(21)9(27-10)5-26-28(23,24)25/h3,6-10,21H,2,4-5H2,1H3,(H2,23,24,25)(H2,16,17,18,22)/t7-,8-,9+,10+/m0/s1
定義日:2006-07-11
最終更新日:2011-06-04
識別子（ID）:2'-deoxy-N-[(1S)-1-methyl-3-oxopropyl]guanosine 5'-(dihydrogen phosphate)
LJZ
LJZ
表記:4,4'-{cyclohexa-2,5-diene-1,4-diylidenebis[(E)methylylidene(E)diazene-2,1-diyl]}bis[N-(2-chlorophenyl)-4-oxobutanamide]
組成式:C28 H24 Cl2 N6 O4
SMILES:Clc1ccccc1NC(=O)CCC(=O)/N=N/C=C3C=C/C(=CN=NC(=O)CCC(=O)Nc2ccccc2Cl)C=C3
InChi:InChI=1S/C28H24Cl2N6O4/c29-21-5-1-3-7-23(21)33-25(37)13-15-27(39)35-31-17-19-9-11-20(12-10-19)18-32-36-28(40)16-14-26(38)34-24-8-4-2-6-22(24)30/h1-12,17-18H,13-16H2,(H,33,37)(H,34,38)/b19-17-,20-18-,35-31+,36-32+
定義日:2010-04-21
最終更新日:2011-06-04
識別子（ID）:4,4'-{cyclohexa-2,5-diene-1,4-diylidenebis[(E)methylylidene(E)diazene-2,1-diyl]}bis[N-(2-chlorophenyl)-4-oxobutanamide]
KAN
KAN
表記:KANAMYCIN A
組成式:C18 H36 N4 O11
SMILES:O(C2C(O)C(OC1OC(CN)C(O)C(O)C1O)C(N)CC2N)C3OC(C(O)C(N)C3O)CO
InChi:InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(1S,2R,3R,4S,6R)-4,6-diamino-3-[(6-amino-6-deoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl 3-amino-3-deoxy-alpha-D-glucopyranoside
KAR
KAR
表記:3"-(BETA-CHLOROETHYL)-2",4"-DIOXO-3, 5"-SPIRO-OXAZOLIDINO-4-DEACETOXY-VINBLASTINE
組成式:C46 H56 Cl N5 O7
SMILES:O=C(OC)C4(c2c(c1ccccc1n2)CCN3CC(O)(CC)CC(C3)C4)c%10cc6c(N(C7C5(OC(=O)N(C5=O)CCCl)CC9(C=CCN8CCC67C89)CC)C)cc%10OC
InChi:InChI=1S/C46H56ClN5O7/c1-6-42-14-10-17-51-19-15-44(37(42)51)31-21-32(35(57-4)22-34(31)49(3)38(44)46(26-42)39(53)52(20-16-47)41(55)59-46)45(40(54)58-5)24-28-23-43(56,7-2)27-50(25-28)18-13-30-29-11-8-9-12-33(29)48-36(30)45/h8-12,14,21-22,28,37-38,48,56H,6-7,13,15-20,23-27H2,1-5H3/t28-,37-,38+,42-,43-,44+,45-,46+/m0/s1
定義日:2004-09-01
最終更新日:2011-06-04
識別子（ID）:methyl (5S,7R,9S)-9-[(3aR,5R,5aR,10bR,13aS)-3'-(2-chloroethyl)-3a-ethyl-8-methoxy-6-methyl-2',4'-dioxo-3a,5a,6,11,12,13a-hexahydro-1H,4H-spiro[indolizino[8,1-cd]carbazole-5,5'-[1,3]oxazolidin]-9-yl]-5-ethyl-5-hydroxy-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino[5,4-b]indole-9-carboxylate
LK4
LK4
表記:N-({6-[(4-CYANOBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)-D-GLUTAMIC ACID
組成式:C23 H20 N2 O7 S
SMILES:O=C(O)C(NS(=O)(=O)c1ccc3c(c1)ccc(OCc2ccc(C#N)cc2)c3)CCC(=O)O
InChi:InChI=1S/C23H20N2O7S/c24-13-15-1-3-16(4-2-15)14-32-19-7-5-18-12-20(8-6-17(18)11-19)33(30,31)25-21(23(28)29)9-10-22(26)27/h1-8,11-12,21,25H,9-10,14H2,(H,26,27)(H,28,29)/t21-/m1/s1
定義日:2007-03-06
最終更新日:2011-06-04
識別子（ID）:N-({6-[(4-cyanobenzyl)oxy]naphthalen-2-yl}sulfonyl)-D-glutamic acid
KAW
KAW
表記:N-{(5S)-4,4-dihydroxy-6-phenyl-5-[(phenylcarbonyl)amino]hexanoyl}-L-tryptophan
組成式:C30 H31 N3 O6
SMILES:O=C(c1ccccc1)NC(Cc2ccccc2)C(O)(O)CCC(=O)NC(C(=O)O)Cc4c3ccccc3nc4
InChi:InChI=1S/C30H31N3O6/c34-27(32-25(29(36)37)18-22-19-31-24-14-8-7-13-23(22)24)15-16-30(38,39)26(17-20-9-3-1-4-10-20)33-28(35)21-11-5-2-6-12-21/h1-14,19,25-26,31,38-39H,15-18H2,(H,32,34)(H,33,35)(H,36,37)/t25-,26-/m0/s1
定義日:2007-12-12
最終更新日:2011-06-04
識別子（ID）:N-{(5S)-4,4-dihydroxy-6-phenyl-5-[(phenylcarbonyl)amino]hexanoyl}-L-tryptophan
LKC
LKC
表記:4-AMINO-1-[(1S,3R,4R,7S)-7-HYDROXY-1-(HYDROXYMETHYL)-2,5-DIOXABICYCLO[2.2.1]HEPT-3-YL]-5-METHYLPYRIMIDIN-2(1H)-ONE
組成式:C11 H15 N3 O5
SMILES:O=C1N=C(N)C(=CN1C3OC2(C(O)C3OC2)CO)C
InChi:InChI=1S/C11H15N3O5/c1-5-2-14(10(17)13-8(5)12)9-6-7(16)11(3-15,19-9)4-18-6/h2,6-7,9,15-16H,3-4H2,1H3,(H2,12,13,17)/t6-,7+,9-,11+/m1/s1
定義日:2002-06-27
最終更新日:2011-06-04
識別子（ID）:4-amino-1-[2,5-anhydro-4-(hydroxymethyl)-alpha-L-lyxofuranosyl]-5-methylpyrimidin-2(1H)-one
KB2
KB2
表記:(3S)-3-(4-{(1S)-1,2-dimethyl-1-[(quinolin-6-ylmethyl)amino]propyl}-1H-1,2,3-triazol-1-yl)heptan-2-one
組成式:C24 H33 N5 O
SMILES:O=C(C(n1nnc(c1)C(NCc3cc2cccnc2cc3)(C)C(C)C)CCCC)C
InChi:InChI=1S/C24H33N5O/c1-6-7-10-22(18(4)30)29-16-23(27-28-29)24(5,17(2)3)26-15-19-11-12-21-20(14-19)9-8-13-25-21/h8-9,11-14,16-17,22,26H,6-7,10,15H2,1-5H3/t22-,24-/m0/s1
定義日:2009-09-09
最終更新日:2011-06-04
識別子（ID）:(3S)-3-(4-{(2S)-3-methyl-2-[(quinolin-6-ylmethyl)amino]butan-2-yl}-1H-1,2,3-triazol-1-yl)heptan-2-one
LKG
LKG
表記:4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol
組成式:C18 H14 N4 O
SMILES:n1c(ccc2nnc(n12)Cc3ccc(O)cc3)c4ccccc4
InChi:InChI=1S/C18H14N4O/c23-15-8-6-13(7-9-15)12-18-20-19-17-11-10-16(21-22(17)18)14-4-2-1-3-5-14/h1-11,23H,12H2
定義日:2008-03-02
最終更新日:2011-06-04
識別子（ID）:4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol
LKJ
LKJ
表記:(2R)-{[(2'-[(biphenyl-3-ylmethyl)carbamoyl]-6'-{[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-6-{[(2R)-2-(1H-pyrrol-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-4,4'-bipyridin-2-yl)carbonyl]amino}(cyclohexyl)ethanoic acid
組成式:C53 H60 N8 O6
SMILES:O=C(O)C(NC(=O)c3nc(C(=O)N2C(Cn1cccc1)CCC2)cc(c3)c6cc(nc(C(=O)NCc5cccc(c4ccccc4)c5)c6)C(=O)N7CCCC7CN8CCCC8)C9CCCCC9
InChi:InChI=1S/C53H60N8O6/c62-49(54-33-36-14-11-19-39(28-36)37-15-3-1-4-16-37)44-29-40(31-46(55-44)51(64)60-26-12-20-42(60)34-58-22-7-8-23-58)41-30-45(50(63)57-48(53(66)67)38-17-5-2-6-18-38)56-47(32-41)52(65)61-27-13-21-43(61)35-59-24-9-10-25-59/h1,3-4,9-11,14-16,19,24-25,28-32,38,42-43,48H,2,5-8,12-13,17-18,20-23,26-27,33-35H2,(H,54,62)(H,57,63)(H,66,67)/t42-,43-,48-/m1/s1
定義日:2010-04-21
最終更新日:2011-06-04
識別子（ID）:(2R)-{[(2'-[(biphenyl-3-ylmethyl)carbamoyl]-6'-{[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-6-{[(2R)-2-(1H-pyrrol-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-4,4'-bipyridin-2-yl)carbonyl]amino}(cyclohexyl)ethanoic acid
LKM
LKM
表記:N-({6-[(4-CYANO-2-FLUOROBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)-D-GLUTAMIC ACID
組成式:C23 H19 F N2 O7 S
SMILES:O=C(O)C(NS(=O)(=O)c1ccc3c(c1)ccc(OCc2ccc(C#N)cc2F)c3)CCC(=O)O
InChi:InChI=1S/C23H19FN2O7S/c24-20-9-14(12-25)1-2-17(20)13-33-18-5-3-16-11-19(6-4-15(16)10-18)34(31,32)26-21(23(29)30)7-8-22(27)28/h1-6,9-11,21,26H,7-8,13H2,(H,27,28)(H,29,30)/t21-/m1/s1
定義日:2008-05-14
最終更新日:2011-06-04
識別子（ID）:N-({6-[(4-cyano-2-fluorobenzyl)oxy]naphthalen-2-yl}sulfonyl)-D-glutamic acid
LL1
LL1
表記:3-pyridin-4-yl-1H-indazole
組成式:C12 H9 N3
SMILES:n2c(c1ccccc1n2)c3ccncc3
InChi:InChI=1S/C12H9N3/c1-2-4-11-10(3-1)12(15-14-11)9-5-7-13-8-6-9/h1-8H,(H,14,15)
定義日:2008-07-04
最終更新日:2011-06-04
識別子（ID）:3-pyridin-4-yl-1H-indazole
KBT
KBT
表記:3-{[3-butyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile
組成式:C20 H23 N3 O3
SMILES:CCCCN1C(=O)NC(=O)C(=C1C(=O)c2cc(C)cc(c2)C#N)C(C)C
InChi:InChI=1S/C20H23N3O3/c1-5-6-7-23-17(16(12(2)3)19(25)22-20(23)26)18(24)15-9-13(4)8-14(10-15)11-21/h8-10,12H,5-7H2,1-4H3,(H,22,25,26)
定義日:2010-01-15
最終更新日:2011-06-04
識別子（ID）:3-(3-butyl-2,6-dioxo-5-propan-2-yl-pyrimidin-4-yl)carbonyl-5-methyl-benzenecarbonitrile
LLG
LLG
表記:2-aminoethyl naphthalen-1-ylacetate
組成式:C14 H15 N O2
SMILES:O=C(OCCN)Cc2cccc1ccccc12
InChi:InChI=1S/C14H15NO2/c15-8-9-17-14(16)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10,15H2
定義日:2007-11-26
最終更新日:2011-06-04
識別子（ID）:2-aminoethyl naphthalen-1-ylacetate
LLH
LLH
表記:(2R,3S,4R)-2,3,4-TRIHYDROXY-5-(HYDROXYAMINO)-5-OXOPENTANOIC ACID
組成式:C5 H9 N O7
SMILES:O=C(O)C(O)C(O)C(O)C(=O)NO
InChi:InChI=1S/C5H9NO7/c7-1(3(9)5(11)12)2(8)4(10)6-13/h1-3,7-9,13H,(H,6,10)(H,11,12)/t1-,2+,3+/m0/s1
定義日:2007-05-01
最終更新日:2011-06-04
識別子（ID）:(2R,3S,4R)-2,3,4-trihydroxy-5-(hydroxyamino)-5-oxopentanoic acid (non-preferred name)
KC6
KC6
表記:4'-[(2-aminoethyl)carbamoyl]-2,2'-bipyridine-4-carboxylic acid
組成式:C14 H14 N4 O3
SMILES:O=C(O)c2ccnc(c1nccc(C(=O)NCCN)c1)c2
InChi:InChI=1S/C14H14N4O3/c15-3-6-18-13(19)9-1-4-16-11(7-9)12-8-10(14(20)21)2-5-17-12/h1-2,4-5,7-8H,3,6,15H2,(H,18,19)(H,20,21)
定義日:2010-11-09
最終更新日:2011-06-04
識別子（ID）:4'-[(2-aminoethyl)carbamoyl]-2,2'-bipyridine-4-carboxylic acid
9JZ
9JZ
表記:(3S)-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-3-methyl-N-(2-pyrimidin-2-ylphenyl)-L-prolinamide
組成式:C28 H38 N6 O3
SMILES:O=C(N3C(C(=O)Nc2ccccc2c1ncccn1)C(C)CC3)C(NC(=O)C(NC)C)C4CCCCC4
InChi:InChI=1S/C28H38N6O3/c1-18-14-17-34(28(37)23(20-10-5-4-6-11-20)33-26(35)19(2)29-3)24(18)27(36)32-22-13-8-7-12-21(22)25-30-15-9-16-31-25/h7-9,12-13,15-16,18-20,23-24,29H,4-6,10-11,14,17H2,1-3H3,(H,32,36)(H,33,35)/t18-,19-,23-,24-/m0/s1
定義日:2009-06-04
最終更新日:2011-06-04
識別子（ID）:(3S)-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-3-methyl-N-(2-pyrimidin-2-ylphenyl)-L-prolinamide
LLX
LLX
表記:N-(4-aminobiphenyl-3-yl)benzamide
組成式:C19 H16 N2 O
SMILES:O=C(Nc1cc(ccc1N)c2ccccc2)c3ccccc3
InChi:InChI=1S/C19H16N2O/c20-17-12-11-16(14-7-3-1-4-8-14)13-18(17)21-19(22)15-9-5-2-6-10-15/h1-13H,20H2,(H,21,22)
定義日:2010-04-06
最終更新日:2011-06-04
識別子（ID）:N-(4-aminobiphenyl-3-yl)benzamide
LMS
LMS
表記:[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDRO-2-FURANYL]METHYL SULFAMATE
組成式:C10 H14 N6 O6 S
SMILES:O=S(=O)(OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)N
InChi:InChI=1S/C10H14N6O6S/c11-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(22-10)1-21-23(12,19)20/h2-4,6-7,10,17-18H,1H2,(H2,11,13,14)(H2,12,19,20)/t4-,6-,7-,10-/m1/s1
定義日:2002-09-11
最終更新日:2011-06-04
識別子（ID）:5'-O-sulfamoyladenosine
LMT
LMT
表記:DODECYL-BETA-D-MALTOSIDE
組成式:C24 H46 O11
SMILES:O(CCCCCCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO
InChi:InChI=1S/C24H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-32-23-21(31)19(29)22(16(14-26)34-23)35-24-20(30)18(28)17(27)15(13-25)33-24/h15-31H,2-14H2,1H3/t15-,16-,17-,18+,19-,20-,21-,22-,23-,24-/m1/s1
定義日:1999-08-25
最終更新日:2011-06-04
識別子（ID）:dodecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside
LMU
LMU
表記:DODECYL-ALPHA-D-MALTOSIDE
組成式:C24 H46 O11
SMILES:O(CCCCCCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO
InChi:InChI=1S/C24H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-32-23-21(31)19(29)22(16(14-26)34-23)35-24-20(30)18(28)17(27)15(13-25)33-24/h15-31H,2-14H2,1H3/t15-,16-,17-,18+,19-,20-,21-,22-,23+,24-/m1/s1
定義日:2000-05-05
最終更新日:2011-06-04
識別子（ID）:dodecyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside
LO1
LO1
表記:[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-ACETIC ACID,
組成式:C9 H10 N2 O3
SMILES:O=C(Nc1ccc(cc1)CN)C(=O)O
InChi:InChI=1S/C9H10N2O3/c10-5-6-1-3-7(4-2-6)11-8(12)9(13)14/h1-4H,5,10H2,(H,11,12)(H,13,14)
定義日:2004-10-28
最終更新日:2011-06-04
識別子（ID）:{[4-(aminomethyl)phenyl]amino}(oxo)acetic acid
LOI
LOI
表記:2-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide
組成式:C15 H16 N6 O S2
SMILES:O=C(Nc1nc(cs1)C)c3cc(Sc2nncn2C)ccc3NC
InChi:InChI=1S/C15H16N6OS2/c1-9-7-23-14(18-9)19-13(22)11-6-10(4-5-12(11)16-2)24-15-20-17-8-21(15)3/h4-8,16H,1-3H3,(H,18,19,22)
定義日:2009-03-23
最終更新日:2011-06-04
識別子（ID）:2-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide
LOM
LOM
表記:THIAZOLE
組成式:C3 H3 N S
SMILES:n1ccsc1
InChi:InChI=1S/C3H3NS/c1-2-5-3-4-1/h1-3H
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:1,3-thiazole

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