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DX1
DX1
表記:6,7-bis(1-methylethyl)pteridine-2,4-diamine
組成式:C12 H18 N6
SMILES:n1c2c(nc(c1C(C)C)C(C)C)nc(nc2N)N
InChi:InChI=1S/C12H18N6/c1-5(2)7-8(6(3)4)16-11-9(15-7)10(13)17-12(14)18-11/h5-6H,1-4H3,(H4,13,14,16,17,18)
定義日:2007-12-14
最終更新日:2011-06-04
識別子（ID）:6,7-bis(1-methylethyl)pteridine-2,4-diamine
6MR
6MR
表記:N-[(4'-IODOBIPHENYL-4-YL)SULFONYL]-D-TRYPTOPHAN
組成式:C23 H19 I N2 O4 S
SMILES:Ic1ccc(cc1)c2ccc(cc2)S(=O)(=O)NC(C(=O)O)Cc4c3ccccc3nc4
InChi:InChI=1S/C23H19IN2O4S/c24-18-9-5-15(6-10-18)16-7-11-19(12-8-16)31(29,30)26-22(23(27)28)13-17-14-25-21-4-2-1-3-20(17)21/h1-12,14,22,25-26H,13H2,(H,27,28)/t22-/m1/s1
定義日:2007-02-16
最終更新日:2011-06-04
識別子（ID）:N-[(4'-iodobiphenyl-4-yl)sulfonyl]-D-tryptophan
DXQ
DXQ
表記:7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine
組成式:C26 H43 N7 O2
SMILES:O(c3cc2nc(nc(NC1CCN(C)CC1)c2cc3OC)N4CCCN(C)CC4)CCCN(C)C
InChi:InChI=1S/C26H43N7O2/c1-30(2)10-7-17-35-24-19-22-21(18-23(24)34-5)25(27-20-8-13-32(4)14-9-20)29-26(28-22)33-12-6-11-31(3)15-16-33/h18-20H,6-17H2,1-5H3,(H,27,28,29)
定義日:2009-10-09
最終更新日:2011-06-04
識別子（ID）:7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine
DXX
DXX
表記:METHYLMALONIC ACID
組成式:C4 H6 O4
SMILES:O=C(O)C(C(=O)O)C
InChi:InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)
定義日:1999-08-26
最終更新日:2011-06-04
識別子（ID）:methylpropanedioic acid
DYP
DYP
表記:1-[1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL]AMINO}BENZYL)PIPERIDIN-4-YL]PROPAN-1-ONE
組成式:C22 H28 N8 O
SMILES:O=C(C4CCN(Cc3ccc(NCc1nc2c(nc1)nc(nc2N)N)cc3)CC4)CC
InChi:InChI=1S/C22H28N8O/c1-2-18(31)15-7-9-30(10-8-15)13-14-3-5-16(6-4-14)25-11-17-12-26-21-19(27-17)20(23)28-22(24)29-21/h3-6,12,15,25H,2,7-11,13H2,1H3,(H4,23,24,26,28,29)
定義日:2005-08-29
最終更新日:2011-06-04
識別子（ID）:1-[1-(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}benzyl)piperidin-4-yl]propan-1-one
DYS
DYS
表記:S-[5-(2-aminoethyl)-2,3-dihydroxyphenyl]-L-cysteine
組成式:C11 H16 N2 O4 S
SMILES:O=C(O)C(N)CSc1cc(cc(O)c1O)CCN
InChi:InChI=1S/C11H16N2O4S/c12-2-1-6-3-8(14)10(15)9(4-6)18-5-7(13)11(16)17/h3-4,7,14-15H,1-2,5,12-13H2,(H,16,17)/t7-/m0/s1
定義日:2007-10-08
最終更新日:2011-06-04
識別子（ID）:S-[5-(2-aminoethyl)-2,3-dihydroxyphenyl]-L-cysteine
DZ8
DZ8
表記:2-FLUORO-8-[(6-IODO-1,3-BENZODIOXOL-5-YL)METHYL]-9-[3-(ISOPROPYLAMINO)PROPYL]-9H-PURIN-6-AMINE
組成式:C19 H22 F I N6 O2
SMILES:Fc1nc2n(c(nc2c(n1)N)Cc3cc4OCOc4cc3I)CCCNC(C)C
InChi:InChI=1S/C19H22FIN6O2/c1-10(2)23-4-3-5-27-15(24-16-17(22)25-19(20)26-18(16)27)7-11-6-13-14(8-12(11)21)29-9-28-13/h6,8,10,23H,3-5,7,9H2,1-2H3,(H2,22,25,26)
定義日:2006-06-05
最終更新日:2011-06-04
識別子（ID）:2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-{3-[(1-methylethyl)amino]propyl}-9H-purin-6-amine
DZE
DZE
表記:methyl (3S)-3-[(tert-butoxycarbonyl)amino]-4-oxopentanoate
組成式:C11 H19 N O5
SMILES:O=C(OC(C)(C)C)NC(C(=O)C)CC(=O)OC
InChi:InChI=1S/C11H19NO5/c1-7(13)8(6-9(14)16-5)12-10(15)17-11(2,3)4/h8H,6H2,1-5H3,(H,12,15)/t8-/m0/s1
定義日:2009-03-10
最終更新日:2011-06-04
識別子（ID）:methyl (3S)-3-[(tert-butoxycarbonyl)amino]-4-oxopentanoate
E09
E09
表記:3-HYDROXYMETHYL-5-AZIRIDINYL-1METHYL-2-[1H-INDOLE-4,7-DIONE]-PROPANOL
組成式:C15 H18 N2 O4
SMILES:O=C2c1n(c(c(c1C(=O)C(=C2)N3CC3)CO)CCCO)C
InChi:InChI=1S/C15H18N2O4/c1-16-10(3-2-6-18)9(8-19)13-14(16)12(20)7-11(15(13)21)17-4-5-17/h7,18-19H,2-6,8H2,1H3
定義日:2000-07-27
最終更新日:2011-06-04
識別子（ID）:5-aziridin-1-yl-3-(hydroxymethyl)-2-(3-hydroxypropyl)-1-methyl-1H-indole-4,7-dione
MO9
MO9
表記:(1R)-2-[(CYANOMETHYL)AMINO]-1-({[2-(DIFLUOROMETHOXY)BENZYL]SULFONYL}METHYL)-2-OXOETHYL MORPHOLINE-4-CARBOXYLATE
組成式:C18 H21 F2 N3 O7 S
SMILES:O=C(OC(C(=O)NCC#N)CS(=O)(=O)Cc1ccccc1OC(F)F)N2CCOCC2
InChi:InChI=1S/C18H21F2N3O7S/c19-17(20)29-14-4-2-1-3-13(14)11-31(26,27)12-15(16(24)22-6-5-21)30-18(25)23-7-9-28-10-8-23/h1-4,15,17H,6-12H2,(H,22,24)/t15-/m0/s1
定義日:2006-03-21
最終更新日:2011-06-04
識別子（ID）:(1R)-2-[(cyanomethyl)amino]-1-({[2-(difluoromethoxy)benzyl]sulfonyl}methyl)-2-oxoethyl morpholine-4-carboxylate
MPA
MPA
表記:(1R)-MENTHYL HEXYL PHOSPHONATE GROUP
組成式:C16 H33 O3 P
SMILES:O=P(OC1CC(CCC1C(C)C)C)(O)CCCCCC
InChi:InChI=1S/C16H33O3P/c1-5-6-7-8-11-20(17,18)19-16-12-14(4)9-10-15(16)13(2)3/h13-16H,5-12H2,1-4H3,(H,17,18)/t14-,15+,16-/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl hydrogen (S)-hexylphosphonate
MPC
MPC
表記:(1S)-MENTHYL HEXYL PHOSPHONATE GROUP
組成式:C16 H33 O3 P
SMILES:O=P(OC1CC(CCC1C(C)C)C)(O)CCCCCC
InChi:InChI=1S/C16H33O3P/c1-5-6-7-8-11-20(17,18)19-16-12-14(4)9-10-15(16)13(2)3/h13-16H,5-12H2,1-4H3,(H,17,18)/t14-,15+,16-/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(1S,2R,5S)-5-methyl-2-(1-methylethyl)cyclohexyl hydrogen (S)-hexylphosphonate
MPO
MPO
表記:3[N-MORPHOLINO]PROPANE SULFONIC ACID
組成式:C7 H15 N O4 S
SMILES:O=S(=O)(O)CCCN1CCOCC1
InChi:InChI=1S/C7H15NO4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1-7H2,(H,9,10,11)
定義日:2000-05-16
最終更新日:2011-06-04
識別子（ID）:3-morpholin-4-ylpropane-1-sulfonic acid
MPP
MPP
表記:3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID
組成式:C11 H14 O4
SMILES:O=C(O)CCc1cc(OC)c(OC)cc1
InChi:InChI=1S/C11H14O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3,5,7H,4,6H2,1-2H3,(H,12,13)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:3-(3,4-dimethoxyphenyl)propanoic acid
MQU
MQU
表記:7-[2-METHOXY-1-(METHOXYMETHYL)ETHYL]-7H-PYRROLO[3,2-F] QUINAZOLINE-1,3-DIAMINE
組成式:C15 H19 N5 O2
SMILES:n3c2ccc1c(ccn1C(COC)COC)c2c(nc3N)N
InChi:InChI=1S/C15H19N5O2/c1-21-7-9(8-22-2)20-6-5-10-12(20)4-3-11-13(10)14(16)19-15(17)18-11/h3-6,9H,7-8H2,1-2H3,(H4,16,17,18,19)
定義日:2002-07-19
最終更新日:2011-06-04
識別子（ID）:7-[2-methoxy-1-(methoxymethyl)ethyl]-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine
MRT
MRT
表記:(5R,9S,12S,15S,18S,21S)-21-benzyl-12,18-bis(carboxymethyl)-15-cyclohexyl-1-(9H-fluoren-9-yl)-4-methyl-9-(2-methylpropyl)-3,6,10,13,16,19-hexaoxo-5-phenyl-2-oxa-4,8,11,14,17,20-hexaazadocosan-22-oic acid
組成式:C56 H66 N6 O13
SMILES:O=C(OCC3c1ccccc1c2ccccc23)N(C)C(c4ccccc4)C(=O)CNC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc5ccccc5)CC(=O)O)C6CCCCC6)CC(=O)O)CC(C)C
InChi:InChI=1S/C56H66N6O13/c1-33(2)27-42(57-31-46(63)50(36-21-11-6-12-22-36)62(3)56(74)75-32-41-39-25-15-13-23-37(39)38-24-14-16-26-40(38)41)51(68)58-44(30-48(66)67)53(70)61-49(35-19-9-5-10-20-35)54(71)59-43(29-47(64)65)52(69)60-45(55(72)73)28-34-17-7-4-8-18-34/h4,6-8,11-18,21-26,33,35,41-45,49-50,57H,5,9-10,19-20,27-32H2,1-3H3,(H,58,68)(H,59,71)(H,60,69)(H,61,70)(H,64,65)(H,66,67)(H,72,73)/t42-,43-,44-,45-,49-,50+/m0/s1
定義日:2008-04-14
最終更新日:2011-06-04
識別子（ID）:(5R,9S,12S,15S,18S,21S)-21-benzyl-12,18-bis(carboxymethyl)-15-cyclohexyl-1-(9H-fluoren-9-yl)-4-methyl-9-(2-methylpropyl)-3,6,10,13,16,19-hexaoxo-5-phenyl-2-oxa-4,8,11,14,17,20-hexaazadocosan-22-oic acid (non-preferred name)
3A1
3A1
表記:N~2~-{(2S)-3-[(R)-hydroxy{(1R)-2-phenyl-1-[(phenylacetyl)amino]ethyl}phosphoryl]-2-methylpropanoyl}-L-lysyl-D-serine
組成式:C29 H41 N4 O8 P
SMILES:O=C(O)C(NC(=O)C(NC(=O)C(C)CP(=O)(O)C(NC(=O)Cc1ccccc1)Cc2ccccc2)CCCCN)CO
InChi:InChI=1S/C29H41N4O8P/c1-20(27(36)31-23(14-8-9-15-30)28(37)32-24(18-34)29(38)39)19-42(40,41)26(17-22-12-6-3-7-13-22)33-25(35)16-21-10-4-2-5-11-21/h2-7,10-13,20,23-24,26,34H,8-9,14-19,30H2,1H3,(H,31,36)(H,32,37)(H,33,35)(H,38,39)(H,40,41)/t20-,23+,24-,26-/m1/s1
定義日:2010-02-05
最終更新日:2011-06-04
識別子（ID）:N~2~-{(2S)-3-[(R)-hydroxy{(1R)-2-phenyl-1-[(phenylacetyl)amino]ethyl}phosphoryl]-2-methylpropanoyl}-L-lysyl-D-serine
3A2
3A2
表記:1-{3-[(R)-{(1R)-1-[(glycyl-L-prolyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]propanoyl}-L-prolyl-D-norleucine
組成式:C29 H44 N5 O8 P
SMILES:O=C(NC(Cc1ccccc1)P(=O)(O)CCC(=O)N2C(C(=O)NC(C(=O)O)CCCC)CCC2)C3N(C(=O)CN)CCC3
InChi:InChI=1S/C29H44N5O8P/c1-2-3-11-21(29(39)40)31-27(37)22-12-7-15-33(22)25(35)14-17-43(41,42)24(18-20-9-5-4-6-10-20)32-28(38)23-13-8-16-34(23)26(36)19-30/h4-6,9-10,21-24H,2-3,7-8,11-19,30H2,1H3,(H,31,37)(H,32,38)(H,39,40)(H,41,42)/t21-,22+,23+,24-/m1/s1
定義日:2010-02-05
最終更新日:2011-06-04
識別子（ID）:1-{3-[(R)-{(1R)-1-[(glycyl-L-prolyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]propanoyl}-L-prolyl-D-norleucine
MS7
MS7
表記:O-benzyl-N-methyl-L-tyrosinamide
組成式:C17 H20 N2 O2
SMILES:O=C(NC)C(N)Cc2ccc(OCc1ccccc1)cc2
InChi:InChI=1S/C17H20N2O2/c1-19-17(20)16(18)11-13-7-9-15(10-8-13)21-12-14-5-3-2-4-6-14/h2-10,16H,11-12,18H2,1H3,(H,19,20)/t16-/m0/s1
定義日:2010-05-05
最終更新日:2011-06-04
識別子（ID）:O-benzyl-N-methyl-L-tyrosinamide
3AH
3AH
表記:[HISTIDIN-1-YL-4H-[1,2,4]TRIAZOL-5-YL]-AMINE
組成式:C8 H11 N7 O2
SMILES:O=C(O)C(N)Cc2ncn(c1nc(nn1)N)c2
InChi:InChI=1S/C8H11N7O2/c9-5(6(16)17)1-4-2-15(3-11-4)8-12-7(10)13-14-8/h2-3,5H,1,9H2,(H,16,17)(H3,10,12,13,14)/t5-/m0/s1
定義日:1999-12-01
最終更新日:2011-06-04
識別子（ID）:1-(3-amino-1H-1,2,4-triazol-5-yl)-L-histidine
3B3
3B3
表記:(2S)-1-AMINO-3-[(5-NITROQUINOLIN-8-YL)AMINO]PROPAN-2-OL
組成式:C12 H14 N4 O3
SMILES:[O-][N+](=O)c1ccc(NCC(O)CN)c2ncccc12
InChi:InChI=1S/C12H14N4O3/c13-6-8(17)7-15-10-3-4-11(16(18)19)9-2-1-5-14-12(9)10/h1-5,8,15,17H,6-7,13H2/t8-/m0/s1
定義日:2006-03-09
最終更新日:2011-06-04
識別子（ID）:(2S)-1-amino-3-[(5-nitroquinolin-8-yl)amino]propan-2-ol
3B6
3B6
表記:(2S)-N-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide
組成式:C18 H14 I N3 O3
SMILES:N#Cc1ccc(cc1I)NC(=O)C(O)(COc2ccc(C#N)cc2)C
InChi:InChI=1S/C18H14IN3O3/c1-18(24,11-25-15-6-2-12(9-20)3-7-15)17(23)22-14-5-4-13(10-21)16(19)8-14/h2-8,24H,11H2,1H3,(H,22,23)/t18-/m0/s1
定義日:2007-11-28
最終更新日:2011-06-04
識別子（ID）:(2S)-N-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide
MTJ
MTJ
表記:N,O-DIMETHYL-L-TYROSINE
組成式:C11 H15 N O3
SMILES:O=C(O)C(NC)Cc1ccc(OC)cc1
InChi:InChI=1S/C11H15NO3/c1-12-10(11(13)14)7-8-3-5-9(15-2)6-4-8/h3-6,10,12H,7H2,1-2H3,(H,13,14)/t10-/m0/s1
定義日:2004-04-15
最終更新日:2011-06-04
識別子（ID）:N,O-dimethyl-L-tyrosine
3BP
3BP
表記:2-(3-BIPHENYL-4-YL-2-ETHANESULFONYLAMINO-PROPIONYLAMINO)-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIMIDOYL-BENZYLAMIDE)
組成式:C30 H36 N6 O5 S
SMILES:O=S(=O)(NC(C(=O)NC(C(=O)NCc1ccc(cc1)C(=[N@H])N)CCC(=O)N)Cc3ccc(c2ccccc2)cc3)CC
InChi:InChI=1S/C30H36N6O5S/c1-2-42(40,41)36-26(18-20-8-12-23(13-9-20)22-6-4-3-5-7-22)30(39)35-25(16-17-27(31)37)29(38)34-19-21-10-14-24(15-11-21)28(32)33/h3-15,25-26,36H,2,16-19H2,1H3,(H2,31,37)(H3,32,33)(H,34,38)(H,35,39)/t25-,26+/m0/s1
定義日:2004-11-29
最終更新日:2011-06-04
識別子（ID）:(2S)-2-({(2R)-3-biphenyl-4-yl-2-[(ethylsulfonyl)amino]propanoyl}amino)-N~1~-(4-carbamimidoylbenzyl)pentanediamide (non-preferred name)
3BR
3BR
表記:1-BROMOPROPANE
組成式:C3 H7 Br
SMILES:BrCCC
InChi:InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3
定義日:2004-11-01
最終更新日:2011-06-04
識別子（ID）:1-bromopropane

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