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NFA
NFA
表記:PHENYLALANINE AMIDE
組成式:C9 H12 N2 O
SMILES:O=C(N)C(N)Cc1ccccc1
InChi:InChI=1S/C9H12N2O/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H2,11,12)/t8-/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:L-phenylalaninamide
EG3
EG3
表記:PHENYLALANYLAMINODI(ETHYLOXY)ETHYL BENZENESULFONAMIDEAMINOCARBONYLBENZENESULFONAMIDE
組成式:C22 H30 N4 O6 S
SMILES:O=S(=O)(N)c1ccc(cc1)C(=O)NCCOCCOCCNC(=O)C(N)Cc2ccccc2
InChi:InChI=1S/C22H30N4O6S/c23-20(16-17-4-2-1-3-5-17)22(28)26-11-13-32-15-14-31-12-10-25-21(27)18-6-8-19(9-7-18)33(24,29)30/h1-9,20H,10-16,23H2,(H,25,27)(H,26,28)(H2,24,29,30)/t20-/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:N-{2-[2-(2-{[(4-sulfamoylphenyl)carbonyl]amino}ethoxy)ethoxy]ethyl}-L-phenylalaninamide
4PY
4PY
表記:(2S)-1-(6H-INDOL-3-YL)-3-{[5-(7H-PYRAZOLO[3,4-C]PYRIDIN-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE
組成式:C22 H20 N6 O
SMILES:N2=C(C=C1C=NN=C1C2)c5cc(OCC(N)CC3=C4C=CCC=C4N=C3)cnc5
InChi:InChI=1S/C22H20N6O/c23-17(5-14-9-25-20-4-2-1-3-19(14)20)13-29-18-6-15(8-24-11-18)21-7-16-10-27-28-22(16)12-26-21/h1,3-4,6-11,17H,2,5,12-13,23H2/t17-/m0/s1
定義日:2007-02-02
最終更新日:2011-06-04
識別子（ID）:(2S)-1-(6H-indol-3-yl)-3-{[5-(7H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-3-yl]oxy}propan-2-amine
EH5
EH5
表記:N-(1-BENZYL-3-{[3-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-PROPIONYL]-[2-(HEXAHYDRO-BENZO[1,3]DIOXOL-5-YL)-ETHYL]-AMINO}-2-HYDROXY-PROPYL)-4-BENZYLOXY-3,5-DIMETHOXY-BENZAMIDE
組成式:C46 H51 N3 O10
SMILES:O=C2c1ccccc1C(=O)N2CCC(=O)N(CC(O)C(NC(=O)c4cc(OC)c(OCc3ccccc3)c(OC)c4)Cc5ccccc5)CCC6CCC7OCOC7C6
InChi:InChI=1S/C46H51N3O10/c1-55-40-25-33(26-41(56-2)43(40)57-28-32-13-7-4-8-14-32)44(52)47-36(23-30-11-5-3-6-12-30)37(50)27-48(21-19-31-17-18-38-39(24-31)59-29-58-38)42(51)20-22-49-45(53)34-15-9-10-16-35(34)46(49)54/h3-16,25-26,31,36-39,50H,17-24,27-29H2,1-2H3,(H,47,52)/t31-,36-,37-,38?,39?/m0/s1
定義日:2002-05-10
最終更新日:2011-06-04
識別子（ID）:N-[(1S,2S)-1-benzyl-3-([3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]{2-[(3aR,5S,7aS)-hexahydro-1,3-benzodioxol-5-yl]ethyl}amino)-2-hydroxypropyl]-4-(benzyloxy)-3,5-dimethoxybenzamide
EHB
EHB
表記:(1Z)-1-(3-ethyl-5-hydroxy-1,3-benzothiazol-2(3H)-ylidene)propan-2-one
組成式:C12 H13 N O2 S
SMILES:O=C(C=C2/Sc1ccc(O)cc1N2CC)C
InChi:InChI=1S/C12H13NO2S/c1-3-13-10-7-9(15)4-5-11(10)16-12(13)6-8(2)14/h4-7,15H,3H2,1-2H3/b12-6-
定義日:2010-09-16
最終更新日:2011-06-04
識別子（ID）:(1Z)-1-(3-ethyl-5-hydroxy-1,3-benzothiazol-2(3H)-ylidene)propan-2-one
635
635
表記:1-methylethyl 8-fluoro-1,1-dimethyl-3-{[4-(3-morpholin-4-ylpropoxy)phenyl]carbonyl}-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
組成式:C32 H38 F N3 O5
SMILES:CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c3cc(F)ccc23)C(=O)c4ccc(OCCCN5CCOCC5)cc4
InChi:InChI=1S/C32H38FN3O5/c1-21(2)41-31(38)26-19-36(20-32(3,4)28-25-11-8-23(33)18-27(25)34-29(26)28)30(37)22-6-9-24(10-7-22)40-15-5-12-35-13-16-39-17-14-35/h6-11,18-19,21,34H,5,12-17,20H2,1-4H3
定義日:2009-12-17
最終更新日:2011-06-04
識別子（ID）:propan-2-yl 8-fluoro-1,1-dimethyl-3-[4-(3-morpholin-4-ylpropoxy)phenyl]carbonyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate
EMF
EMF
表記:ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate
組成式:C13 H16 O4
SMILES:O=C(OCC)C2CC2c1ccc(O)c(OC)c1
InChi:InChI=1S/C13H16O4/c1-3-17-13(15)10-7-9(10)8-4-5-11(14)12(6-8)16-2/h4-6,9-10,14H,3,7H2,1-2H3/t9-,10+/m1/s1
定義日:2007-09-04
最終更新日:2011-06-04
識別子（ID）:ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate
EMN
EMN
表記:(2S)-1-{[(2S)-3-(2-methoxyethoxy)-2-methylpropyl]oxy}propan-2-amine
組成式:C10 H23 N O3
SMILES:COCCOC[CH](C)COC[CH](C)N
InChi:InChI=1S/C10H23NO3/c1-9(6-13-5-4-12-3)7-14-8-10(2)11/h9-10H,4-8,11H2,1-3H3/t9-,10+/m1/s1
定義日:2009-11-27
最終更新日:2011-06-04
識別子（ID）:(2S)-1-[(2S)-3-(2-methoxyethoxy)-2-methyl-propoxy]propan-2-amine
ENT
ENT
表記:3(R)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER
組成式:C16 H23 N3 O6 S
SMILES:O=S(=O)(O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C(C(=O)NC)C2
InChi:InChI=1S/C16H23N3O6S/c1-16(2,3)25-15(21)19-9-11-7-12(18-26(22,23)24)6-5-10(11)8-13(19)14(20)17-4/h5-7,13,18H,8-9H2,1-4H3,(H,17,20)(H,22,23,24)/t13-/m1/s1
定義日:2005-12-01
最終更新日:2011-06-04
識別子（ID）:[(3R)-2-(tert-butoxycarbonyl)-3-(methylcarbamoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]sulfamic acid
EOT
EOT
表記:[(1-[(BIS-CARBOXYMETHYL-AMINO)-METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)-THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL-AMINO]-ACETIC ACID
組成式:C20 H28 N4 O9 S
SMILES:S=C(Nc1ccc(cc1)CC(N(CC(=O)O)CC(=O)O)CN(CC(=O)O)CC(=O)O)NCCO
InChi:InChI=1S/C20H28N4O9S/c25-6-5-21-20(34)22-14-3-1-13(2-4-14)7-15(24(11-18(30)31)12-19(32)33)8-23(9-16(26)27)10-17(28)29/h1-4,15,25H,5-12H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H2,21,22,34)/t15-/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:2,2',2'',2'''-{[(2S)-3-(4-{[(2-hydroxyethyl)carbamothioyl]amino}phenyl)propane-1,2-diyl]dinitrilo}tetraacetic acid
EP1
EP1
表記:3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID
組成式:C9 H20 N2 O4 S
SMILES:O=S(=O)(O)CCCN1CCN(CCO)CC1
InChi:InChI=1S/C9H20N2O4S/c12-8-7-11-5-3-10(4-6-11)2-1-9-16(13,14)15/h12H,1-9H2,(H,13,14,15)
定義日:2003-11-20
最終更新日:2011-06-04
識別子（ID）:3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid
EPN
EPN
表記:3-(4-NITRO-PHENOXY)-PROPAN-1-OL
組成式:C9 H11 N O4
SMILES:[O-][N+](=O)c1ccc(OCCCO)cc1
InChi:InChI=1S/C9H11NO4/c11-6-1-7-14-9-4-2-8(3-5-9)10(12)13/h2-5,11H,1,6-7H2
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:3-(4-nitrophenoxy)propan-1-ol
EPY
EPY
表記:1-HYDROXY-2-S-GLUTATHIONYL-3-PARA-NITROPHENOXY-PROPANE
組成式:C19 H26 N4 O10 S
SMILES:O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC(COc1ccc(cc1)[N+]([O-])=O)CO
InChi:InChI=1S/C19H26N4O10S/c20-14(19(29)30)5-6-16(25)22-15(18(28)21-7-17(26)27)10-34-13(8-24)9-33-12-3-1-11(2-4-12)23(31)32/h1-4,13-15,24H,5-10,20H2,(H,21,28)(H,22,25)(H,26,27)(H,29,30)/t13-,14-,15-/m0/s1
定義日:2000-02-10
最終更新日:2011-06-04
識別子（ID）:L-gamma-glutamyl-S-{(1S)-2-hydroxy-1-[(4-nitrophenoxy)methyl]ethyl}-L-cysteinylglycine
672
672
表記:(S)-4-(4-(3-(3-CARBAMIMIDOYLPHENYL)-2-(2,4,6-TRIISOPROPYLPHENYLSULFONAMIDO)PROPANOYL)PIPERAZINE-1-CARBONYL)PIPERIDINE-1-CARBOXIMIDAMIDE
組成式:C36 H54 N8 O4 S
SMILES:O=C(N2CCN(C(=O)C1CCN(C(=[N@H])N)CC1)CC2)C(NS(=O)(=O)c3c(cc(cc3C(C)C)C(C)C)C(C)C)Cc4cc(C(=[N@H])N)ccc4
InChi:InChI=1S/C36H54N8O4S/c1-22(2)28-20-29(23(3)4)32(30(21-28)24(5)6)49(47,48)41-31(19-25-8-7-9-27(18-25)33(37)38)35(46)43-16-14-42(15-17-43)34(45)26-10-12-44(13-11-26)36(39)40/h7-9,18,20-24,26,31,41H,10-17,19H2,1-6H3,(H3,37,38)(H3,39,40)/t31-/m0/s1
定義日:2006-05-30
最終更新日:2011-06-04
識別子（ID）:4-({4-[(2S)-3-(3-carbamimidoylphenyl)-2-({[2,4,6-tris(1-methylethyl)phenyl]sulfonyl}amino)propanoyl]piperazin-1-yl}carbonyl)piperidine-1-carboximidamide
673
673
表記:N-(1-methylethyl)-3-[(3-prop-2-en-1-ylbiphenyl-4-yl)oxy]propan-1-amine
組成式:C21 H27 N O
SMILES:CC(C)NCCCOc1ccc(cc1CC=C)c2ccccc2
InChi:InChI=1S/C21H27NO/c1-4-9-20-16-19(18-10-6-5-7-11-18)12-13-21(20)23-15-8-14-22-17(2)3/h4-7,10-13,16-17,22H,1,8-9,14-15H2,2-3H3
定義日:2010-01-29
最終更新日:2011-06-04
識別子（ID）:N-[3-(4-phenyl-2-prop-2-enyl-phenoxy)propyl]propan-2-amine
ESG
ESG
表記:L-gamma-glutamyl-S-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-L-cysteinylglycine
組成式:C16 H24 N4 O8 S
SMILES:CCN1C(=O)C[CH](SC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O)C1=O
InChi:InChI=1S/C16H24N4O8S/c1-2-20-12(22)5-10(15(20)26)29-7-9(14(25)18-6-13(23)24)19-11(21)4-3-8(17)16(27)28/h8-10H,2-7,17H2,1H3,(H,18,25)(H,19,21)(H,23,24)(H,27,28)/t8-,9-,10-/m0/s1
定義日:2010-01-18
最終更新日:2011-06-04
識別子（ID）:2-azanyl-5-[[(2R)-1-(carboxymethylamino)-3-[(3S)-1-ethyl-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
ESH
ESH
表記:4- [(1R,3AS,4R,8AS,8BR)- 2- (4-CHLOROBENZYL)- 1- ISOPROPYL- 3- OXODECAHYDROPYRROLO[3,4- A]PYRROLIZIN- 4- YL]BENZENECARBOXIMIDAMIDE
組成式:C26 H31 Cl N4 O
SMILES:Clc1ccc(cc1)CN2C(=O)C5C(C2C(C)C)C3N(CCC3)C5c4ccc(C(=[N@H])N)cc4
InChi:InChI=1S/C26H31ClN4O/c1-15(2)23-21-20-4-3-13-30(20)24(17-7-9-18(10-8-17)25(28)29)22(21)26(32)31(23)14-16-5-11-19(27)12-6-16/h5-12,15,20-24H,3-4,13-14H2,1-2H3,(H3,28,29)/t20-,21-,22-,23+,24-/m0/s1
定義日:2006-02-17
最終更新日:2011-06-04
識別子（ID）:4-[(1R,3aS,4R,8aS,8bR)-2-(4-chlorobenzyl)-1-(1-methylethyl)-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide
ESY
ESY
表記:benzyl N-[(benzyloxy)carbonyl]-L-alanyl-N~6~-[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]-L-lysinate
組成式:C32 H43 N3 O8
SMILES:O=CC(C(C)CC)C(O)C(=O)NCCCCC(C(=O)OCc1ccccc1)NC(=O)C(NC(=O)OCc2ccccc2)C
InChi:InChI=1S/C32H43N3O8/c1-4-22(2)26(19-36)28(37)30(39)33-18-12-11-17-27(31(40)42-20-24-13-7-5-8-14-24)35-29(38)23(3)34-32(41)43-21-25-15-9-6-10-16-25/h5-10,13-16,19,22-23,26-28,37H,4,11-12,17-18,20-21H2,1-3H3,(H,33,39)(H,34,41)(H,35,38)/t22-,23-,26-,27-,28+/m0/s1
定義日:2006-02-06
最終更新日:2011-06-04
識別子（ID）:benzyl N-[(benzyloxy)carbonyl]-L-alanyl-N~6~-[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]-L-lysinate
ET0
ET0
表記:3-(5-methoxy-1H-indol-3-yl)propanoic acid
組成式:C12 H13 N O3
SMILES:O=C(O)CCc2c1cc(OC)ccc1nc2
InChi:InChI=1S/C12H13NO3/c1-16-9-3-4-11-10(6-9)8(7-13-11)2-5-12(14)15/h3-4,6-7,13H,2,5H2,1H3,(H,14,15)
定義日:2008-10-08
最終更新日:2011-06-04
識別子（ID）:3-(5-methoxy-1H-indol-3-yl)propanoic acid
ET1
ET1
表記:3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-1H-indol-3-yl}propanoic acid
組成式:C19 H19 N O6 S
SMILES:O=S(=O)(c1ccc(OC)cc1)n3c2ccc(OC)cc2c(c3)CCC(=O)O
InChi:InChI=1S/C19H19NO6S/c1-25-14-4-7-16(8-5-14)27(23,24)20-12-13(3-10-19(21)22)17-11-15(26-2)6-9-18(17)20/h4-9,11-12H,3,10H2,1-2H3,(H,21,22)
定義日:2008-10-08
最終更新日:2011-06-04
識別子（ID）:3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-1H-indol-3-yl}propanoic acid
EV3
EV3
表記:3-(2-amino-5-chloro-1H-benzimidazol-1-yl)propan-1-ol
組成式:C10 H12 Cl N3 O
SMILES:Clc1cc2nc(N)n(c2cc1)CCCO
InChi:InChI=1S/C10H12ClN3O/c11-7-2-3-9-8(6-7)13-10(12)14(9)4-1-5-15/h2-3,6,15H,1,4-5H2,(H2,12,13)
定義日:2010-06-18
最終更新日:2011-06-04
識別子（ID）:3-(2-amino-5-chloro-1H-benzimidazol-1-yl)propan-1-ol
LTN
LTN
表記:L-TRYPTOPHANAMIDE
組成式:C11 H13 N3 O
SMILES:O=C(N)C(N)Cc2c1ccccc1nc2
InChi:InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)/t9-/m0/s1
定義日:2002-08-08
最終更新日:2011-06-04
識別子（ID）:L-tryptophanamide
6EA
6EA
表記:(1S)-1-(1H-INDOL-3-YLMETHYL)-2-(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-5-YLOXY)-EHYLAMINE
組成式:C24 H21 N5 O
SMILES:n1ccc(cc1)c2nc5c(cc2)c(OCC(N)Cc4c3ccccc3nc4)cnc5
InChi:InChI=1S/C24H21N5O/c25-18(11-17-12-28-22-4-2-1-3-19(17)22)15-30-24-14-27-13-23-20(24)5-6-21(29-23)16-7-9-26-10-8-16/h1-10,12-14,18,28H,11,15,25H2/t18-/m0/s1
定義日:2005-12-23
最終更新日:2011-06-04
識別子（ID）:(2S)-1-(1H-indol-3-yl)-3-[(2-pyridin-4-yl-1,7-naphthyridin-5-yl)oxy]propan-2-amine
LX0
LX0
表記:4-(4-amino-6-{[(1R)-1-naphthalen-2-ylethyl]amino}-1,3,5-triazin-2-yl)-L-phenylalanine
組成式:C24 H24 N6 O2
SMILES:O=C(O)C(N)Cc4ccc(c1nc(nc(n1)NC(c3cc2ccccc2cc3)C)N)cc4
InChi:InChI=1S/C24H24N6O2/c1-14(18-11-10-16-4-2-3-5-19(16)13-18)27-24-29-21(28-23(26)30-24)17-8-6-15(7-9-17)12-20(25)22(31)32/h2-11,13-14,20H,12,25H2,1H3,(H,31,32)(H3,26,27,28,29,30)/t14-,20+/m1/s1
定義日:2009-05-13
最終更新日:2011-06-04
識別子（ID）:4-(4-amino-6-{[(1R)-1-naphthalen-2-ylethyl]amino}-1,3,5-triazin-2-yl)-L-phenylalanine
LY0
LY0
表記:(2R)-3-[(R)-[(1R)-1-aminoethyl](hydroxy)phosphoryl]-2-methylpropanoic acid
組成式:C6 H14 N O4 P
SMILES:C[CH](N)[P](O)(=O)C[CH](C)C(O)=O
InChi:InChI=1S/C6H14NO4P/c1-4(6(8)9)3-12(10,11)5(2)7/h4-5H,3,7H2,1-2H3,(H,8,9)(H,10,11)/t4-,5+/m0/s1
定義日:2010-02-26
最終更新日:2011-06-04
識別子（ID）:(2R)-3-[[(1R)-1-azanylethyl]-hydroxy-phosphoryl]-2-methyl-propanoic acid

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