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BHX
BHX
表記:(2S)-2-{[(S)-(2-carboxyethyl)(hydroxy)phosphoryl]methyl}pentanedioic acid
組成式:C9 H15 O8 P
SMILES:O=C(O)CCC(C(=O)O)CP(=O)(O)CCC(=O)O
InChi:InChI=1S/C9H15O8P/c10-7(11)2-1-6(9(14)15)5-18(16,17)4-3-8(12)13/h6H,1-5H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)/t6-/m1/s1
定義日:2007-11-30
最終更新日:2011-06-04
識別子（ID）:(2S)-2-{[(S)-(2-carboxyethyl)(hydroxy)phosphoryl]methyl}pentanedioic acid
BHZ
BHZ
表記:2-[2-[carboxymethyl(phenylmethyl)amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid
組成式:C20 H24 N2 O5
SMILES:O=C(O)CN(Cc1ccccc1O)CCN(Cc2ccccc2)CC(=O)O
InChi:InChI=1S/C20H24N2O5/c23-18-9-5-4-8-17(18)13-22(15-20(26)27)11-10-21(14-19(24)25)12-16-6-2-1-3-7-16/h1-9,23H,10-15H2,(H,24,25)(H,26,27)
定義日:2010-05-20
最終更新日:2011-06-04
識別子（ID）:[{2-[benzyl(carboxymethyl)amino]ethyl}(2-hydroxybenzyl)amino]acetic acid (non-preferred name)
RUF
RUF
表記:7-(2-chlorobenzyl)-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-1H-purine-2,6-dione
組成式:C18 H21 Cl N6 O2
SMILES:Clc1ccccc1Cn2c(nc3c2C(=O)N(C(=O)N3C)C)N4CCNCC4
InChi:InChI=1S/C18H21ClN6O2/c1-22-15-14(16(26)23(2)18(22)27)25(11-12-5-3-4-6-13(12)19)17(21-15)24-9-7-20-8-10-24/h3-6,20H,7-11H2,1-2H3
定義日:2009-02-03
最終更新日:2011-06-04
識別子（ID）:7-(2-chlorobenzyl)-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-1H-purine-2,6-dione
BI4
BI4
表記:3-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN-2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE-2,5-DIONE
組成式:C27 H26 N4 O2
SMILES:O=C3C(c2c1ccccc1nc2)=C(C(=O)N3)c4c6ccccc6n(c4)CCC5N(C)CCC5
InChi:InChI=1S/C27H26N4O2/c1-30-13-6-7-17(30)12-14-31-16-21(19-9-3-5-11-23(19)31)25-24(26(32)29-27(25)33)20-15-28-22-10-4-2-8-18(20)22/h2-5,8-11,15-17,28H,6-7,12-14H2,1H3,(H,29,32,33)/t17-/m0/s1
定義日:2004-04-26
最終更新日:2011-06-04
識別子（ID）:3-(1H-indol-3-yl)-4-(1-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}-1H-indol-3-yl)-1H-pyrrole-2,5-dione
BI5
BI5
表記:4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE
組成式:C19 H16 N2 O2
SMILES:O=C(NCc1ncccc1)c3ccc(Oc2ccccc2)cc3
InChi:InChI=1S/C19H16N2O2/c22-19(21-14-16-6-4-5-13-20-16)15-9-11-18(12-10-15)23-17-7-2-1-3-8-17/h1-13H,14H2,(H,21,22)
定義日:2005-06-14
最終更新日:2011-06-04
識別子（ID）:4-phenoxy-N-(pyridin-2-ylmethyl)benzamide
BI6
BI6
表記:(3S,6S,7Z,10AS)-N-(DIPHENYLMETHYL)-6-{[(2S)-2-(METHYLIDENEAMINO)BUTANOYL]AMINO}-5-OXO-1,2,3,5,6,9,10,10A-OCTAHYDROPYRROLO[1,2-A]AZOCINE-3-CARBOXAMIDE
組成式:C29 H34 N4 O3
SMILES:O=C(NC1C=CCCC4N(C1=O)C(C(=O)NC(c2ccccc2)c3ccccc3)CC4)C(/N=C)CC
InChi:InChI=1S/C29H34N4O3/c1-3-23(30-2)27(34)31-24-17-11-10-16-22-18-19-25(33(22)29(24)36)28(35)32-26(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-9,11-15,17,22-26H,2-3,10,16,18-19H2,1H3,(H,31,34)(H,32,35)/t22-,23-,24-,25-/m0/s1
定義日:2008-08-21
最終更新日:2011-06-04
識別子（ID）:(3S,6S,7Z,10aS)-N-(diphenylmethyl)-6-{[(2S)-2-(methylideneamino)butanoyl]amino}-5-oxo-1,2,3,5,6,9,10,10a-octahydropyrrolo[1,2-a]azocine-3-carboxamide
RUM
RUM
表記:2-({2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-6-oxopyrimidin-1(6H)-yl}methyl)benzonitrile
組成式:C17 H18 Br N5 O
SMILES:N#Cc1ccccc1CN3C(=O)C(Br)=CN=C3N2CC(N)CCC2
InChi:InChI=1S/C17H18BrN5O/c18-15-9-21-17(22-7-3-6-14(20)11-22)23(16(15)24)10-13-5-2-1-4-12(13)8-19/h1-2,4-5,9,14H,3,6-7,10-11,20H2/t14-/m1/s1
定義日:2009-02-03
最終更新日:2011-06-04
識別子（ID）:2-({2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-6-oxopyrimidin-1(6H)-yl}methyl)benzonitrile
BIC
BIC
表記:3-AMINO-3-BENZYL-9-CARBOXAMIDE[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE
組成式:C15 H19 N3 O2
SMILES:O=CC2N1C(=O)C(N)(CCN1CC2)Cc3ccccc3
InChi:InChI=1S/C15H19N3O2/c16-15(10-12-4-2-1-3-5-12)7-9-17-8-6-13(11-19)18(17)14(15)20/h1-5,11,13H,6-10,16H2/t13-,15+/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(1S,7S)-7-amino-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carbaldehyde
RUP
RUP
表記:(R)-2-(3-ADAMANTAN-1-YL-UREIDO)-3-(3-CARBAMIMIDOYL-PHENYL)-N-PHENETHYL-PROPIONAMIDE
組成式:C29 H37 N5 O2
SMILES:O=C(NCCc1ccccc1)C(NC(=O)NC23CC4CC(C2)CC(C3)C4)Cc5cc(C(=[N@H])N)ccc5
InChi:InChI=1S/C29H37N5O2/c30-26(31)24-8-4-7-20(14-24)15-25(27(35)32-10-9-19-5-2-1-3-6-19)33-28(36)34-29-16-21-11-22(17-29)13-23(12-21)18-29/h1-8,14,21-23,25H,9-13,15-18H2,(H3,30,31)(H,32,35)(H2,33,34,36)/t21-,22+,23-,25-,29-/m1/s1
定義日:2002-02-07
最終更新日:2011-06-04
識別子（ID）:3-carbamimidoyl-N-(2-phenylethyl)-Nalpha-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl]-D-phenylalaninamide
BIP
BIP
表記:2-BENZYL-3-IODOPROPANOIC ACID
組成式:C10 H11 I O2
SMILES:O=C(O)C(CI)Cc1ccccc1
InChi:InChI=1S/C10H11IO2/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)/t9-/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(2R)-2-benzyl-3-iodopropanoic acid
BIQ
BIQ
表記:BENZYL [12-(2-AMINO-2-OXOETHYL)-4-NITRO-10,13-DIOXO-15-[(PROPYLAMINO)CARBONYL]-2-OXA-11,14-DIAZATRICYCLO[15 .2.2.1~3,7~]DOCOSA-1(19),3(22),4,6,17,20-HEXAEN-9-YL]CARBAMATE
組成式:C33 H36 N6 O9
SMILES:[O-][N+](=O)c4ccc3cc4Oc1ccc(cc1)CC(C(=O)NCCC)NC(=O)C(NC(=O)C(NC(=O)OCc2ccccc2)C3)CC(=O)N
InChi:InChI=1S/C33H36N6O9/c1-2-14-35-30(41)24-15-20-8-11-23(12-9-20)48-28-17-22(10-13-27(28)39(45)46)16-25(31(42)37-26(18-29(34)40)32(43)36-24)38-33(44)47-19-21-6-4-3-5-7-21/h3-13,17,24-26H,2,14-16,18-19H2,1H3,(H2,34,40)(H,35,41)(H,36,43)(H,37,42)(H,38,44)/t24-,25-,26-/m0/s1
定義日:2006-04-25
最終更新日:2011-06-04
識別子（ID）:benzyl [(9S,12S,15S)-12-(2-amino-2-oxoethyl)-4-nitro-10,13-dioxo-15-(propylcarbamoyl)-2-oxa-11,14-diazatricyclo[15.2.2.1~3,7~]docosa-1(19),3(22),4,6,17,20-hexaen-9-yl]carbamate
BIS
BIS
表記:1,1,5,5-TETRAFLUOROPHOSPHOPENTYLPHOSPHONIC ACID ADENYLATE ESTER
組成式:C15 H22 F4 N5 O12 P3
SMILES:FC(F)(P(=O)(O)O)CCCC(F)(F)P(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C15H22F4N5O12P3/c16-14(17,37(27,28)29)2-1-3-15(18,19)38(30,31)36-39(32,33)34-4-7-9(25)10(26)13(35-7)24-6-23-8-11(20)21-5-22-12(8)24/h5-7,9-10,13,25-26H,1-4H2,(H,30,31)(H,32,33)(H2,20,21,22)(H2,27,28,29)/t7-,9-,10-,13-/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:5'-O-[(R)-hydroxy{[(R)-hydroxy(1,1,5,5-tetrafluoro-5-phosphonopentyl)phosphoryl]oxy}phosphoryl]adenosine
BIX
BIX
表記:(2S)-2-{[(S)-[(3S)-3-amino-3-carboxypropyl](hydroxy)phosphoryl]methyl}pentanedioic acid
組成式:C10 H18 N O8 P
SMILES:O=C(O)CCC(C(=O)O)CP(=O)(O)CCC(C(=O)O)N
InChi:InChI=1S/C10H18NO8P/c11-7(10(16)17)3-4-20(18,19)5-6(9(14)15)1-2-8(12)13/h6-7H,1-5,11H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)/t6-,7+/m1/s1
定義日:2007-11-30
最終更新日:2011-06-04
識別子（ID）:(2S)-2-{[(S)-[(3S)-3-amino-3-carboxypropyl](hydroxy)phosphoryl]methyl}pentanedioic acid
BIY
BIY
表記:(3S)-2,2-dimethyl-3,4-dihydro-2H-1,4-thiazine-3,6-dicarboxylic acid
組成式:C8 H11 N O4 S
SMILES:O=C(O)C=1SC(C)(C)C(C(=O)O)NC=1
InChi:InChI=1S/C8H11NO4S/c1-8(2)5(7(12)13)9-3-4(14-8)6(10)11/h3,5,9H,1-2H3,(H,10,11)(H,12,13)/t5-/m0/s1
定義日:2009-06-04
最終更新日:2011-06-04
識別子（ID）:(3S)-2,2-dimethyl-3,4-dihydro-2H-1,4-thiazine-3,6-dicarboxylic acid
RVP
RVP
表記:RIBAVIRIN MONOPHOSPHATE
組成式:C8 H13 N4 O8 P
SMILES:O=C(c1ncn(n1)C2OC(C(O)C2O)COP(=O)(O)O)N
InChi:InChI=1S/C8H13N4O8P/c9-6(15)7-10-2-12(11-7)8-5(14)4(13)3(20-8)1-19-21(16,17)18/h2-5,8,13-14H,1H2,(H2,9,15)(H2,16,17,18)/t3-,4-,5-,8-/m1/s1
定義日:2002-08-09
最終更新日:2011-06-04
識別子（ID）:1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide
BJH
BJH
表記:1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-HYDROXYPHENYL)ETHYL BORONIC ACID
組成式:C11 H14 B N O6
SMILES:O=C(O)c1cccc(c1O)CC(B(O)O)NC(=O)C
InChi:InChI=1S/C11H14BNO6/c1-6(14)13-9(12(18)19)5-7-3-2-4-8(10(7)15)11(16)17/h2-4,9,15,18-19H,5H2,1H3,(H,13,14)(H,16,17)/t9-/m0/s1
定義日:2000-04-20
最終更新日:2011-06-04
識別子（ID）:3-[(2R)-2-(acetylamino)-2-(dihydroxyboranyl)ethyl]-2-hydroxybenzoic acid
BJI
BJI
表記:1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID
組成式:C11 H14 B N O5
SMILES:O=C(O)c1cc(ccc1)CC(NC(=O)C)B(O)O
InChi:InChI=1S/C11H14BNO5/c1-7(14)13-10(12(17)18)6-8-3-2-4-9(5-8)11(15)16/h2-5,10,17-18H,6H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1
定義日:2000-04-17
最終更新日:2011-06-04
識別子（ID）:3-[(2R)-2-(acetylamino)-2-(dihydroxyboranyl)ethyl]benzoic acid
BJP
BJP
表記:(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID
組成式:C17 H18 B N O5
SMILES:O=C(O)c1cc(ccc1)CC(NC(=O)Cc2ccccc2)B(O)O
InChi:InChI=1S/C17H18BNO5/c20-16(11-12-5-2-1-3-6-12)19-15(18(23)24)10-13-7-4-8-14(9-13)17(21)22/h1-9,15,23-24H,10-11H2,(H,19,20)(H,21,22)/t15-/m0/s1
定義日:2000-04-19
最終更新日:2011-06-04
識別子（ID）:3-{(2R)-2-(dihydroxyboranyl)-2-[(phenylacetyl)amino]ethyl}benzoic acid
BK3
BK3
表記:3-(naphthalen-1-ylmethyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
組成式:C22 H24 N6
SMILES:n1c(c2c(nc1)n(nc2Cc4c3ccccc3ccc4)CC5CCNCC5)N
InChi:InChI=1S/C22H24N6/c23-21-20-19(12-17-6-3-5-16-4-1-2-7-18(16)17)27-28(22(20)26-14-25-21)13-15-8-10-24-11-9-15/h1-7,14-15,24H,8-13H2,(H2,23,25,26)
定義日:2010-05-10
最終更新日:2011-06-04
識別子（ID）:3-(naphthalen-1-ylmethyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
RXA
RXA
表記:isoquinoline-1,3,4(2H)-trione
組成式:C9 H5 N O3
SMILES:O=C2c1c(cccc1)C(=O)C(=O)N2
InChi:InChI=1S/C9H5NO3/c11-7-5-3-1-2-4-6(5)8(12)10-9(7)13/h1-4H,(H,10,12,13)
定義日:2008-06-13
最終更新日:2011-06-04
識別子（ID）:isoquinoline-1,3,4(2H)-trione
RXD
RXD
表記:N-[3-(2-fluoroethoxy)phenyl]-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide
組成式:C21 H18 F N3 O6
SMILES:FCCOc1cccc(c1)NC(=O)CCC(=O)Nc2ccc3C(=O)NC(=O)C(=O)c3c2
InChi:InChI=1S/C21H18FN3O6/c22-8-9-31-14-3-1-2-12(10-14)23-17(26)6-7-18(27)24-13-4-5-15-16(11-13)19(28)21(30)25-20(15)29/h1-5,10-11H,6-9H2,(H,23,26)(H,24,27)(H,25,29,30)
定義日:2008-06-13
最終更新日:2011-06-04
識別子（ID）:N-[3-(2-fluoroethoxy)phenyl]-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide
BL5
BL5
表記:2-{N'-[2-(5-AMINO-1-PHENYLCARBAMOYL-PENTYLCARBAMOYL)-HEXYL]-HYDRAZINOMETHYL}-HEXANOIC ACID(5-AMINO-1-PHENYLCARBAMOYL-PENTYL)-AMIDE
組成式:C38 H62 N8 O4
SMILES:O=C(Nc1ccccc1)C(NC(=O)C(CCCC)CNNCC(C(=O)NC(C(=O)Nc2ccccc2)CCCCN)CCCC)CCCCN
InChi:InChI=1S/C38H62N8O4/c1-3-5-17-29(35(47)45-33(23-13-15-25-39)37(49)43-31-19-9-7-10-20-31)27-41-42-28-30(18-6-4-2)36(48)46-34(24-14-16-26-40)38(50)44-32-21-11-8-12-22-32/h7-12,19-22,29-30,33-34,41-42H,3-6,13-18,23-28,39-40H2,1-2H3,(H,43,49)(H,44,50)(H,45,47)(H,46,48)/t29-,30-,33-,34-/m0/s1
定義日:2003-12-02
最終更新日:2011-06-04
識別子（ID）:(2S,2'S)-2,2'-(hydrazine-1,2-diylbis{methanediyl[(2S)-1-oxohexane-2,1-diyl]imino})bis(6-amino-N-phenylhexanamide) (non-preferred name)
RXP
RXP
表記:1-BENZYLOXYCARBONYLAMINO-2-PHENYL-ETHYL)-{2-[1-CARBAMOYL-2-(1H-INDOL-3-YL)-ETHYLCARBAMOYL]-5-PHENYL-PENTYL}-PHOSPHINIC ACID
組成式:C39 H43 N4 O6 P
SMILES:O=C(OCc1ccccc1)NC(Cc2ccccc2)P(=O)(O)CC(C(=O)NC(C(=O)N)Cc4c3ccccc3nc4)CCCc5ccccc5
InChi:InChI=1S/C39H43N4O6P/c40-37(44)35(24-32-25-41-34-22-11-10-21-33(32)34)42-38(45)31(20-12-19-28-13-4-1-5-14-28)27-50(47,48)36(23-29-15-6-2-7-16-29)43-39(46)49-26-30-17-8-3-9-18-30/h1-11,13-18,21-22,25,31,35-36,41H,12,19-20,23-24,26-27H2,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)/t31-,35+,36+/m1/s1
定義日:2001-01-15
最終更新日:2011-06-04
識別子（ID）:Nalpha-[(2S)-2-{[(S)-[(1S)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]methyl}-5-phenylpentanoyl]-L-tryptophanamide
BLI
BLI
表記:4-OXO-2-PHENYLMETHANESULFONYL-OCTAHYDRO-PYRROLO[1,2-A]PYRAZINE-6-CARBOXYLIC ACID [1-(N-HYDROXYCARBAMIMIDOYL)-PIPERIDIN-4-YLMETHYL]-AMIDE
組成式:C22 H32 N6 O5 S
SMILES:O=S(=O)(N3CC(=O)N2C(C(=O)NCC1CCN(C(=NO)/N)CC1)CCC2C3)Cc4ccccc4
InChi:InChI=1S/C22H32N6O5S/c23-22(25-31)26-10-8-16(9-11-26)12-24-21(30)19-7-6-18-13-27(14-20(29)28(18)19)34(32,33)15-17-4-2-1-3-5-17/h1-5,16,18-19,31H,6-15H2,(H2,23,25)(H,24,30)/t18-,19-/m0/s1
定義日:2001-11-08
最終更新日:2011-06-04
識別子（ID）:(6S,8aS)-2-(benzylsulfonyl)-N-{[1-(N'-hydroxycarbamimidoyl)piperidin-4-yl]methyl}-4-oxooctahydropyrrolo[1,2-a]pyrazine-6-carboxamide
BLL
BLL
表記:(2R,3R,4R,5R)-3,4-DIHYDROXY-N,N'-BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]-2,5-BIS(2-PHENYLETHYL)HEXANEDIAMIDE
組成式:C40 H44 N2 O6
SMILES:O=C(NC2c1ccccc1CC2O)C(CCc3ccccc3)C(O)C(O)C(C(=O)NC5c4ccccc4CC5O)CCc6ccccc6
InChi:InChI=1S/C40H44N2O6/c43-33-23-27-15-7-9-17-29(27)35(33)41-39(47)31(21-19-25-11-3-1-4-12-25)37(45)38(46)32(22-20-26-13-5-2-6-14-26)40(48)42-36-30-18-10-8-16-28(30)24-34(36)44/h1-18,31-38,43-46H,19-24H2,(H,41,47)(H,42,48)/t31-,32-,33-,34-,35+,36+,37-,38-/m1/s1
定義日:2004-11-02
最終更新日:2011-06-04
識別子（ID）:(2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,5-bis(2-phenylethyl)hexanediamide (non-preferred name)

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件を2024-09-11に公開中

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