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DH3
DH3
表記:2,4-DIAMINO-5-[3',4'-DIMETHOXY-5'-(5-CARBOXYL-1-PENTYNYL)]BENZYL PYRIMIDINE
組成式:C19 H22 N4 O4
SMILES:O=C(O)CCCC#Cc1cc(cc(OC)c1OC)Cc2cnc(nc2N)N
InChi:InChI=1S/C19H22N4O4/c1-26-15-10-12(9-14-11-22-19(21)23-18(14)20)8-13(17(15)27-2)6-4-3-5-7-16(24)25/h8,10-11H,3,5,7,9H2,1-2H3,(H,24,25)(H4,20,21,22,23)
定義日:2006-02-15
最終更新日:2024-09-27
識別子（ID）:6-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}hex-5-ynoic acid
DH4
DH4
表記:2-[(1R)-1-{[(E)-azepan-1-ylmethylidene]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
組成式:C15 H25 N3 O3 S
SMILES:O=C(O)C1NC(SC1(C)C)C(/N=C/N2CCCCCC2)C=O
InChi:InChI=1S/C15H25N3O3S/c1-15(2)12(14(20)21)17-13(22-15)11(9-19)16-10-18-7-5-3-4-6-8-18/h9-13,17H,3-8H2,1-2H3,(H,20,21)/b16-10+/t11-,12?,13?/m1/s1
別名:Mecillinam, bound form
定義日:2010-06-25
最終更新日:2024-09-27
識別子（ID）:2-[(1R)-1-{[(E)-azepan-1-ylmethylidene]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
2DG
2DG
表記:2-deoxy-alpha-D-galactopyranose
組成式:C6 H12 O5
SMILES:OC1C(OC(O)CC1O)CO
InChi:InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5+,6-/m1/s1
別名:2-deoxy-alpha-D-lyxo-hexopyranose
定義日:2001-10-02
最終更新日:2024-09-27
識別子（ID）:2-deoxy-alpha-D-lyxo-hexopyranose
DH9
DH9
表記:(2S,3S,5S)-5-[(N-FORMYL-L-LEUCYL)OXY]-2-HEXYL-3-HYDROXYHEXADECANOIC ACID
組成式:C29 H55 N O6
SMILES:O=C(OC(CC(O)C(C(=O)O)CCCCCC)CCCCCCCCCCC)C(NC=O)CC(C)C
InChi:InChI=1S/C29H55NO6/c1-5-7-9-11-12-13-14-15-16-18-24(36-29(35)26(30-22-31)20-23(3)4)21-27(32)25(28(33)34)19-17-10-8-6-2/h22-27,32H,5-21H2,1-4H3,(H,30,31)(H,33,34)/t24-,25-,26-,27-/m0/s1
定義日:2007-06-06
最終更新日:2024-09-27
識別子（ID）:(2S,3S,5S)-5-[(N-formyl-L-leucyl)oxy]-2-hexyl-3-hydroxyhexadecanoic acid
DHA
DHA
表記:2-AMINO-ACRYLIC ACID
組成式:C3 H5 N O2
SMILES:O=C(O)C(=C)N
InChi:InChI=1S/C3H5NO2/c1-2(4)3(5)6/h1,4H2,(H,5,6)
別名:2,3-DIDEHYDROALANINE
定義日:1999-11-22
最終更新日:2024-09-27
識別子（ID）:2-aminoprop-2-enoic acid
DHC
DHC
表記:CAFFEIC ACID
組成式:C9 H8 O4
SMILES:O=C(O)C=Cc1cc(O)c(O)cc1
InChi:InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
別名:3,4-DIHYDROXYCINNAMIC ACID
定義日:2002-01-09
最終更新日:2024-09-27
識別子（ID）:(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
2DO
2DO
表記:(2S)-2-AMINOHEXANE-1,1-DIOL
組成式:C6 H15 N O2
SMILES:OC(O)C(N)CCCC
InChi:InChI=1S/C6H15NO2/c1-2-3-4-5(7)6(8)9/h5-6,8-9H,2-4,7H2,1H3/t5-/m0/s1
定義日:2005-09-26
最終更新日:2024-09-27
識別子（ID）:(2S)-2-aminohexane-1,1-diol
2DR
2DR
表記:2-deoxy-beta-D-erythro-pentofuranose
組成式:C5 H10 O4
SMILES:OCC1OC(O)CC1O
InChi:InChI=1S/C5H10O4/c6-2-4-3(7)1-5(8)9-4/h3-8H,1-2H2/t3-,4+,5+/m0/s1
別名:2-deoxy-beta-D-ribofuranose
定義日:2009-07-20
最終更新日:2024-09-27
識別子（ID）:2-deoxy-beta-D-erythro-pentofuranose
DHK
DHK
表記:3-DEHYDROSHIKIMATE
組成式:C7 H10 O5
SMILES:O=C(O)C1C=C(O)C(O)C(O)C1
InChi:InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,3,5-6,8-10H,2H2,(H,11,12)/t3-,5-,6-/m1/s1
定義日:2002-01-22
最終更新日:2024-09-27
識別子（ID）:(1S,4S,5R)-3,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid
DHS
DHS
表記:3-AMINO-4,5-DIHYDROXY-CYCLOHEX-1-ENECARBOXYLATE
組成式:C7 H10 N O4
SMILES:[O-]C(=O)C1=CC(N)C(O)C(O)C1
InChi:InChI=1S/C7H11NO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,9-10H,2,8H2,(H,11,12)/p-1/t4-,5+,6+/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(3S,4R,5R)-3-amino-4,5-dihydroxycyclohex-1-ene-1-carboxylate
DHV
DHV
表記:3-hydroxy-D-valine
組成式:C5 H11 N O3
SMILES:O=C(O)C(N)C(O)(C)C
InChi:InChI=1S/C5H11NO3/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m0/s1
別名:D-beta-hydroxyvaline
定義日:2008-06-03
最終更新日:2024-09-27
識別子（ID）:3-hydroxy-D-valine
DI2
DI2
表記:AC-(D)PHE-PRO-BOROLYS-OH
組成式:C21 H33 B N4 O5
SMILES:O=C(NC(B(O)O)CCCCN)C2N(C(=O)C(NC(=O)C)Cc1ccccc1)CCC2
InChi:InChI=1S/C21H33BN4O5/c1-15(27)24-17(14-16-8-3-2-4-9-16)21(29)26-13-7-10-18(26)20(28)25-19(22(30)31)11-5-6-12-23/h2-4,8-9,17-19,30-31H,5-7,10-14,23H2,1H3,(H,24,27)(H,25,28)/t17-,18+,19+/m1/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:N-acetyl-D-phenylalanyl-N-[(1R)-5-amino-1-(dihydroxyboranyl)pentyl]-L-prolinamide
DI3
DI3
表記:AC-(D)PHE-PRO-BORO-N-BUTYL-AMIDINO-GLYCINE-OH
組成式:C22 H34 B N5 O5
SMILES:O=C(NC(B(O)O)CCCCC(=[N@H])N)C2N(C(=O)C(NC(=O)C)Cc1ccccc1)CCC2
InChi:InChI=1S/C22H34BN5O5/c1-15(29)26-17(14-16-8-3-2-4-9-16)22(31)28-13-7-10-18(28)21(30)27-19(23(32)33)11-5-6-12-20(24)25/h2-4,8-9,17-19,32-33H,5-7,10-14H2,1H3,(H3,24,25)(H,26,29)(H,27,30)/t17-,18+,19+/m1/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:N-acetyl-D-phenylalanyl-N-[(1R,6Z)-6-amino-1-(dihydroxyboranyl)-6-iminohexyl]-L-prolinamide
DI4
DI4
表記:AC-(D)PHE-PRO-BOROHOMOLYS-OH
組成式:C22 H35 B N4 O5
SMILES:O=C(NC(B(O)O)CCCCCN)C2N(C(=O)C(NC(=O)C)Cc1ccccc1)CCC2
InChi:InChI=1S/C22H35BN4O5/c1-16(28)25-18(15-17-9-4-2-5-10-17)22(30)27-14-8-11-19(27)21(29)26-20(23(31)32)12-6-3-7-13-24/h2,4-5,9-10,18-20,31-32H,3,6-8,11-15,24H2,1H3,(H,25,28)(H,26,29)/t18-,19+,20+/m1/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:N-acetyl-D-phenylalanyl-N-[(1R)-6-amino-1-(dihydroxyboranyl)hexyl]-L-prolinamide
DI5
DI5
表記:AC-(D)PHE-PRO-BOROHOMOORNITHINE-OH
組成式:C20 H31 B N4 O5
SMILES:O=C(NC(B(O)O)CCCN)C2N(C(=O)C(NC(=O)C)Cc1ccccc1)CCC2
InChi:InChI=1S/C20H31BN4O5/c1-14(26)23-16(13-15-7-3-2-4-8-15)20(28)25-12-6-9-17(25)19(27)24-18(21(29)30)10-5-11-22/h2-4,7-8,16-18,29-30H,5-6,9-13,22H2,1H3,(H,23,26)(H,24,27)/t16-,17+,18+/m1/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:N-acetyl-D-phenylalanyl-N-[(1R)-4-amino-1-(dihydroxyboranyl)butyl]-L-prolinamide
DI7
DI7
表記:2,6-dimethyl-L-tyrosine
組成式:C11 H15 N O3
SMILES:O=C(O)C(N)Cc1c(cc(O)cc1C)C
InChi:InChI=1S/C11H15NO3/c1-6-3-8(13)4-7(2)9(6)5-10(12)11(14)15/h3-4,10,13H,5,12H2,1-2H3,(H,14,15)/t10-/m0/s1
定義日:2014-12-10
最終更新日:2024-09-27
公開日:2015-01-14
識別子（ID）:2,6-dimethyl-L-tyrosine
DI8
DI8
表記:(3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
組成式:C10 H11 N O2
SMILES:O=C(O)C2NCc1ccccc1C2
InChi:InChI=1S/C10H11NO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h1-4,9,11H,5-6H2,(H,12,13)/t9-/m0/s1
定義日:2014-12-10
最終更新日:2024-09-27
公開日:2015-01-14
識別子（ID）:(3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
2EI
2EI
表記:2-methyl-5-[[3-[1-[(3~{S},5~{R})-5-methyl-1-propanoyl-pyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one
組成式:C32 H33 N5 O3
SMILES:CCC(=O)N1C[CH](C[CH]1C)n2cc(c3ccncc3)c(n2)c4cccc(OCc5ccc6c(CN(C)C6=O)c5)c4
InChi:InChI=1S/C32H33N5O3/c1-4-30(38)36-18-26(14-21(36)2)37-19-29(23-10-12-33-13-11-23)31(34-37)24-6-5-7-27(16-24)40-20-22-8-9-28-25(15-22)17-35(3)32(28)39/h5-13,15-16,19,21,26H,4,14,17-18,20H2,1-3H3/t21-,26+/m1/s1
定義日:2023-07-11
最終更新日:2024-09-27
公開日:2024-06-05
識別子（ID）:2-methyl-5-[[3-[1-[(3~{S},5~{R})-5-methyl-1-propanoyl-pyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one
DIB
DIB
表記:3-AMINO-(DIMETHYLPROPYLAMINE)
組成式:C5 H14 N2
SMILES:NCCCN(C)C
InChi:InChI=1S/C5H14N2/c1-7(2)5-3-4-6/h3-6H2,1-2H3
定義日:2002-08-08
最終更新日:2024-09-27
識別子（ID）:N,N-dimethylpropane-1,3-diamine
DIC
DIC
表記:3,4-DICHLOROISOCOUMARIN
組成式:C9 H4 Cl2 O2
SMILES:ClC=1OC(=O)c2ccccc2C=1Cl
InChi:InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:3,4-dichloro-1H-isochromen-1-one
DIK
DIK
表記:5-{[4-(5-methyl-3-oxohex-4-en-1-yl)phenyl]amino}-5-oxopentanoic acid
組成式:C18 H23 N O4
SMILES:O=C(O)CCCC(=O)Nc1ccc(cc1)CCC(=O)C=C(/C)C
InChi:InChI=1S/C18H23NO4/c1-13(2)12-16(20)11-8-14-6-9-15(10-7-14)19-17(21)4-3-5-18(22)23/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,19,21)(H,22,23)
定義日:2008-12-31
最終更新日:2024-09-27
識別子（ID）:5-{[4-(5-methyl-3-oxohex-4-en-1-yl)phenyl]amino}-5-oxopentanoic acid
2EV
2EV
表記:(3S,4S)-1-[(2-chlorophenyl)sulfonyl]-N-[(2E)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)pyrrolidine-3-carboxamide
組成式:C18 H23 Cl N4 O5 S
SMILES:O=C(N1CCOCC1)C3C(C(=O)NCC=[N@H])CN(S(=O)(=O)c2ccccc2Cl)C3
InChi:InChI=1S/C18H23ClN4O5S/c19-15-3-1-2-4-16(15)29(26,27)23-11-13(17(24)21-6-5-20)14(12-23)18(25)22-7-9-28-10-8-22/h1-5,13-14,20H,6-12H2,(H,21,24)/b20-5+/t13-,14-/m1/s1
定義日:2013-10-01
最終更新日:2024-09-27
公開日:2014-08-20
識別子（ID）:(3S,4S)-1-[(2-chlorophenyl)sulfonyl]-N-[(2E)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)pyrrolidine-3-carboxamide
2EW
2EW
表記:(3S,4S)-N-[(2E)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)-1-(phenylsulfonyl)pyrrolidine-3-carboxamide
組成式:C18 H24 N4 O5 S
SMILES:O=C(N1CCOCC1)C3C(C(=O)NCC=[N@H])CN(S(=O)(=O)c2ccccc2)C3
InChi:InChI=1S/C18H24N4O5S/c19-6-7-20-17(23)15-12-22(28(25,26)14-4-2-1-3-5-14)13-16(15)18(24)21-8-10-27-11-9-21/h1-6,15-16,19H,7-13H2,(H,20,23)/b19-6+/t15-,16-/m1/s1
定義日:2013-10-01
最終更新日:2024-09-27
公開日:2014-09-10
識別子（ID）:(3S,4S)-N-[(2E)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)-1-(phenylsulfonyl)pyrrolidine-3-carboxamide
DIP
DIP
表記:DIPENTYLAMINE
組成式:C10 H23 N
SMILES:N(CCCCC)CCCCC
InChi:InChI=1S/C10H23N/c1-3-5-7-9-11-10-8-6-4-2/h11H,3-10H2,1-2H3
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:N-pentylpentan-1-amine
2F3
2F3
表記:1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid
組成式:C25 H17 Cl F N3 O3
SMILES:O=C5NC=CC=C5c2c1cc(c(F)cc1n(c2C(=O)O)Cc3cc4ccccc4nc3Cl)C
InChi:InChI=1S/C25H17ClFN3O3/c1-13-9-17-20(11-18(13)27)30(12-15-10-14-5-2-3-7-19(14)29-23(15)26)22(25(32)33)21(17)16-6-4-8-28-24(16)31/h2-11H,12H2,1H3,(H,28,31)(H,32,33)
定義日:2013-10-07
最終更新日:2024-09-27
公開日:2013-12-11
識別子（ID）:1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid

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