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3FC
3FC
表記:(1R)-2,2-DIMETHYL-1-({5-[4-(TRIFLUOROMETHYL)PHENYL]-1,3,4-OXADIAZOL-2-YL}METHYL)PROPYL (1S)-1-{OXO[(2-OXO-1,3-OXAZOLIDIN-3-YL)AMINO]ACETYL}PENTYLCARBAMATE
組成式:C26 H32 F3 N5 O7
SMILES:O=C3OCCN3NC(=O)C(=O)C(NC(=O)OC(Cc1nnc(o1)c2ccc(cc2)C(F)(F)F)C(C)(C)C)CCCC
InChi:InChI=1S/C26H32F3N5O7/c1-5-6-7-17(20(35)21(36)33-34-12-13-39-24(34)38)30-23(37)40-18(25(2,3)4)14-19-31-32-22(41-19)15-8-10-16(11-9-15)26(27,28)29/h8-11,17-18H,5-7,12-14H2,1-4H3,(H,30,37)(H,33,36)/t17-,18+/m0/s1
定義日:2005-03-14
最終更新日:2024-09-27
識別子（ID）:(1R)-2,2-dimethyl-1-({5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl}methyl)propyl [(1S)-1-{oxo[(2-oxo-1,3-oxazolidin-3-yl)amino]acetyl}pentyl]carbamate
3FG
3FG
表記:(2S)-amino(3,5-dihydroxyphenyl)ethanoic acid
組成式:C8 H9 N O4
SMILES:O=C(O)C(c1cc(O)cc(O)c1)N
InChi:InChI=1S/C8H9NO4/c9-7(8(12)13)4-1-5(10)3-6(11)2-4/h1-3,7,10-11H,9H2,(H,12,13)/t7-/m0/s1
定義日:2009-03-27
最終更新日:2024-09-27
識別子（ID）:(2S)-amino(3,5-dihydroxyphenyl)ethanoic acid
3FO
3FO
表記:N-{(2S)-2-(3-chlorophenyl)-2-[(methylsulfonyl)amino]acetyl}-L-phenylalanyl-N-[(2Z)-2-iminoethyl]glycinamide
組成式:C22 H26 Cl N5 O5 S
SMILES:Clc1cc(ccc1)C(NS(=O)(=O)C)C(=O)NC(C(=O)NCC(=O)NCC=[N@H])Cc2ccccc2
InChi:InChI=1S/C22H26ClN5O5S/c1-34(32,33)28-20(16-8-5-9-17(23)13-16)22(31)27-18(12-15-6-3-2-4-7-15)21(30)26-14-19(29)25-11-10-24/h2-10,13,18,20,24,28H,11-12,14H2,1H3,(H,25,29)(H,26,30)(H,27,31)/b24-10-/t18-,20-/m0/s1
定義日:2014-08-11
最終更新日:2024-09-27
公開日:2014-09-10
識別子（ID）:N-{(2S)-2-(3-chlorophenyl)-2-[(methylsulfonyl)amino]acetyl}-L-phenylalanyl-N-[(2Z)-2-iminoethyl]glycinamide
3FS
3FS
表記:N-[(3,5-dichlorophenyl)acetyl]-L-threonyl-N-[(2Z)-2-iminoethyl]glycinamide
組成式:C16 H20 Cl2 N4 O4
SMILES:Clc1cc(cc(Cl)c1)CC(=O)NC(C(=O)NCC(=O)NCC=[N@H])C(O)C
InChi:InChI=1S/C16H20Cl2N4O4/c1-9(23)15(16(26)21-8-14(25)20-3-2-19)22-13(24)6-10-4-11(17)7-12(18)5-10/h2,4-5,7,9,15,19,23H,3,6,8H2,1H3,(H,20,25)(H,21,26)(H,22,24)/b19-2-/t9-,15+/m1/s1
定義日:2014-08-11
最終更新日:2024-09-27
公開日:2014-09-10
識別子（ID）:N-[(3,5-dichlorophenyl)acetyl]-L-threonyl-N-[(2Z)-2-iminoethyl]glycinamide
3FU
3FU
表記:N~2~-[(2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)acetyl]-N-({2-[(Z)-iminomethyl]pyrimidin-4-yl}methyl)-L-isoleucinamide
組成式:C22 H28 Cl2 N6 O2
SMILES:Clc1cc(cc(Cl)c1)C(N(C)C)C(=O)NC(C(=O)NCc2nc(ncc2)C=[N@H])C(C)CC
InChi:InChI=1S/C22H28Cl2N6O2/c1-5-13(2)19(21(31)27-12-17-6-7-26-18(11-25)28-17)29-22(32)20(30(3)4)14-8-15(23)10-16(24)9-14/h6-11,13,19-20,25H,5,12H2,1-4H3,(H,27,31)(H,29,32)/b25-11-/t13-,19-,20+/m0/s1
定義日:2014-08-11
最終更新日:2024-09-27
公開日:2014-09-10
識別子（ID）:N~2~-[(2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)acetyl]-N-({2-[(Z)-iminomethyl]pyrimidin-4-yl}methyl)-L-isoleucinamide
3GC
3GC
表記:GAMMA-GLUTAMYLCYSTEINE
組成式:C8 H14 N2 O5 S
SMILES:O=C(O)C(NC(=O)CCC(C(=O)O)N)CS
InChi:InChI=1S/C8H14N2O5S/c9-4(7(12)13)1-2-6(11)10-5(3-16)8(14)15/h4-5,16H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5-/m0/s1
定義日:2002-07-01
最終更新日:2024-09-27
識別子（ID）:L-gamma-glutamyl-L-cysteine
3GE
3GE
表記:N-[(1E)-2-formyl-3-hydroxyprop-1-en-1-yl]-3-[(S)-sulfino]-D-valine
組成式:C9 H15 N O6 S
SMILES:O=S(O)C(C)(C)C(NC=C(/CO)C=O)C(=O)O
InChi:InChI=1S/C9H15NO6S/c1-9(2,17(15)16)7(8(13)14)10-3-6(4-11)5-12/h3-4,7,10,12H,5H2,1-2H3,(H,13,14)(H,15,16)/b6-3-/t7-/m0/s1
定義日:2014-08-15
最終更新日:2024-09-27
公開日:2015-01-21
識別子（ID）:N-[(1E)-2-formyl-3-hydroxyprop-1-en-1-yl]-3-[(S)-sulfino]-D-valine
3GL
3GL
表記:(2S,4S)-2-amino-4-hydroxy-pentanedioic acid
組成式:C5 H9 N O5
SMILES:O=C(O)C(N)CC(O)C(=O)O
InChi:InChI=1S/C5H9NO5/c6-2(4(8)9)1-3(7)5(10)11/h2-3,7H,1,6H2,(H,8,9)(H,10,11)/t2-,3-/m0/s1
別名:4-HYDROXY-GLUTAMIC-ACID
定義日:2010-11-03
最終更新日:2024-09-27
識別子（ID）:(2S,4S)-2-amino-4-hydroxypentanedioic acid (non-preferred name)
9MN
9MN
表記:(2~{S})-2-azanyl-6-(6-bromanylhexanoylamino)hexanoic acid
組成式:C12 H23 Br N2 O3
SMILES:N[CH](CCCCNC(=O)CCCCCBr)C(O)=O
InChi:InChI=1S/C12H23BrN2O3/c13-8-4-1-2-7-11(16)15-9-5-3-6-10(14)12(17)18/h10H,1-9,14H2,(H,15,16)(H,17,18)/t10-/m0/s1
定義日:2017-06-08
最終更新日:2024-09-27
公開日:2017-10-11
識別子（ID）:(2~{S})-2-azanyl-6-(6-bromanylhexanoylamino)hexanoic acid
3HD
3HD
表記:1,5-anhydro-3-O-methyl-D-mannitol
組成式:C7 H14 O5
SMILES:O(C)C1C(O)C(OCC1O)CO
InChi:InChI=1S/C7H14O5/c1-11-7-4(9)3-12-5(2-8)6(7)10/h4-10H,2-3H2,1H3/t4-,5-,6-,7-/m1/s1
別名:3-O-METHYL-O-ALPHA-D-MANNOPYRANOSYL
定義日:2006-06-30
最終更新日:2024-09-27
識別子（ID）:1,5-anhydro-3-O-methyl-D-mannitol
3HL
3HL
表記:(3S)-3-HYDROXYBUTANOIC ACID
組成式:C4 H8 O3
SMILES:O=C(O)CC(O)C
InChi:InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1
定義日:2007-02-15
最終更新日:2024-09-27
識別子（ID）:(3S)-3-hydroxybutanoic acid
3IB
3IB
表記:3-INDOLEBUTYRIC ACID
組成式:C12 H13 N O2
SMILES:O=C(O)CCCc2c1ccccc1nc2
InChi:InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:4-(1H-indol-3-yl)butanoic acid
3IS
3IS
表記:5-chloranyl-1,3-dihydroindol-2-one
組成式:C8 H6 Cl N O
SMILES:Clc1ccc2NC(=O)Cc2c1
InChi:InChI=1S/C8H6ClNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11)
定義日:2020-05-05
最終更新日:2024-09-27
公開日:2021-05-12
識別子（ID）:5-chloranyl-1,3-dihydroindol-2-one
9OW
9OW
表記:3-selanyl-L-alaninamide
組成式:C3 H8 N2 O Se
SMILES:NC(=O)C(N)C[SeH]
InChi:InChI=1S/C3H8N2OSe/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H2,5,6)/t2-/m0/s1
定義日:2021-10-21
最終更新日:2024-09-27
公開日:2022-03-16
識別子（ID）:3-selanyl-L-alaninamide
9PR
9PR
表記:N-methyl-L-prolinamide
組成式:C6 H12 N2 O
SMILES:O=C(NC)C1NCCC1
InChi:InChI=1S/C6H12N2O/c1-7-6(9)5-3-2-4-8-5/h5,8H,2-4H2,1H3,(H,7,9)/t5-/m0/s1
定義日:2010-12-09
最終更新日:2024-09-27
識別子（ID）:N-methyl-L-prolinamide
3KI
3KI
表記:(6~{R},7~{R},9~{E})-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid
組成式:C16 H20 O4
SMILES:O[CH](CCCCC(O)=O)[CH](O)CC=CC#CC#CC=C
InChi:InChI=1S/C16H20O4/c1-2-3-4-5-6-7-8-11-14(17)15(18)12-9-10-13-16(19)20/h2,7-8,14-15,17-18H,1,9-13H2,(H,19,20)/b8-7+/t14-,15-/m1/s1
定義日:2021-07-20
最終更新日:2024-09-27
公開日:2022-07-27
識別子（ID）:(6~{R},7~{R},9~{E})-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid
9QJ
9QJ
表記:(1S,3S,4E)-3-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-4-iminocyclopentane-1-carboxylic acid
組成式:C14 H19 N2 O7 P
SMILES:C(c1c(O)c(C)ncc1COP(O)(O)=O)C2C(=N)CC(C2)C(O)=O
InChi:InChI=1S/C14H19N2O7P/c1-7-13(17)11(10(5-16-7)6-23-24(20,21)22)3-8-2-9(14(18)19)4-12(8)15/h5,8-9,15,17H,2-4,6H2,1H3,(H,18,19)(H2,20,21,22)/b15-12+/t8-,9-/m0/s1
定義日:2017-05-26
最終更新日:2024-09-27
公開日:2017-08-30
識別子（ID）:(1S,3S,4E)-3-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-4-iminocyclopentane-1-carboxylic acid
9R1
9R1
表記:(2S)-2-aminooctanedioic acid
組成式:C8 H15 N O4
SMILES:NC(CCCCCC(O)=O)C(O)=O
InChi:InChI=1S/C8H15NO4/c9-6(8(12)13)4-2-1-3-5-7(10)11/h6H,1-5,9H2,(H,10,11)(H,12,13)/t6-/m0/s1
定義日:2017-06-01
最終更新日:2024-09-27
公開日:2017-11-15
識別子（ID）:(2S)-2-aminooctanedioic acid
9R4
9R4
表記:D-gamma-glutamyl-2-methyl-L-alanine
組成式:C9 H16 N2 O5
SMILES:NC(CCC(NC(C)(C(O)=O)C)=O)C(O)=O
InChi:InChI=1S/C9H16N2O5/c1-9(2,8(15)16)11-6(12)4-3-5(10)7(13)14/h5H,3-4,10H2,1-2H3,(H,11,12)(H,13,14)(H,15,16)/t5-/m1/s1
定義日:2017-06-01
最終更新日:2024-09-27
公開日:2017-11-15
識別子（ID）:D-gamma-glutamyl-2-methyl-L-alanine
9R7
9R7
表記:L-gamma-glutamylglycine
組成式:C7 H12 N2 O5
SMILES:NC(CCC(NCC(O)=O)=O)C(=O)O
InChi:InChI=1S/C7H12N2O5/c8-4(7(13)14)1-2-5(10)9-3-6(11)12/h4H,1-3,8H2,(H,9,10)(H,11,12)(H,13,14)/t4-/m0/s1
定義日:2017-06-02
最終更新日:2024-09-27
公開日:2017-11-15
識別子（ID）:L-gamma-glutamylglycine
3LB
3LB
表記:(3R,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-[(5R)-5-hydroxy-4-oxo-4,5-dihydropyridin-2-yl]-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-3-(prop-2-en-1-yl)-9-oxa-2,5,8-triazaundec-7-en-11-oic acid
組成式:C27 H34 N10 O13 S3
SMILES:O=S(=O)(C)CCCN2C(=O)N(N=C2C=1N=CC(O)C(=O)C=1)S(=O)(=O)NC(=O)NC(CC=C)C(C=O)NC(=O)C(=NOC(C(=O)O)(C)C)/c3nc(sc3)N
InChi:InChI=1S/C27H34N10O13S3/c1-5-7-14(16(12-38)30-22(41)20(17-13-51-24(28)31-17)34-50-27(2,3)23(42)43)32-25(44)35-53(48,49)37-26(45)36(8-6-9-52(4,46)47)21(33-37)15-10-18(39)19(40)11-29-15/h5,10-14,16,19,40H,1,6-9H2,2-4H3,(H2,28,31)(H,30,41)(H,42,43)(H2,32,35,44)/b34-20-/t14-,16-,19-/m1/s1
定義日:2014-09-12
最終更新日:2024-09-27
公開日:2015-04-22
識別子（ID）:(3R,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-[(5R)-5-hydroxy-4-oxo-4,5-dihydropyridin-2-yl]-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-3-(prop-2-en-1-yl)-9-oxa-2,5,8-triazaundec-7-en-11-oic acid
3LC
3LC
表記:(3S,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-3-ethenyl-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid
組成式:C26 H32 N10 O13 S3
SMILES:O=S(=O)(C)CCCN2C(=O)N(N=C2C1=NC=C(O)C(=O)C1)S(=O)(=O)NC(=O)NC(C=C)C(C=O)NC(=O)C(=NOC(C(=O)O)(C)C)/c3nc(sc3)N
InChi:InChI=1S/C26H32N10O13S3/c1-5-13(15(11-37)29-21(40)19(16-12-50-23(27)30-16)33-49-26(2,3)22(41)42)31-24(43)34-52(47,48)36-25(44)35(7-6-8-51(4,45)46)20(32-36)14-9-17(38)18(39)10-28-14/h5,10-13,15,39H,1,6-9H2,2-4H3,(H2,27,30)(H,29,40)(H,41,42)(H2,31,34,43)/b33-19-/t13-,15+/m0/s1
定義日:2014-09-12
最終更新日:2024-09-27
公開日:2015-04-22
識別子（ID）:(3S,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-3-ethenyl-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid
3LE
3LE
表記:(3S,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-3,10,10-trimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid
組成式:C25 H32 N10 O13 S3
SMILES:O=S(=O)(C)CCCN2C(=O)N(N=C2C1=NC=C(O)C(=O)C1)S(=O)(=O)NC(=O)NC(C)C(C=O)NC(=O)C(=NOC(C(=O)O)(C)C)/c3nc(sc3)N
InChi:InChI=1S/C25H32N10O13S3/c1-12(14(10-36)29-20(39)18(15-11-49-22(26)30-15)32-48-25(2,3)21(40)41)28-23(42)33-51(46,47)35-24(43)34(6-5-7-50(4,44)45)19(31-35)13-8-16(37)17(38)9-27-13/h9-12,14,38H,5-8H2,1-4H3,(H2,26,30)(H,29,39)(H,40,41)(H2,28,33,42)/b32-18-/t12-,14+/m0/s1
定義日:2014-09-12
最終更新日:2024-09-27
公開日:2015-04-22
識別子（ID）:(3S,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-3,10,10-trimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid
9RI
9RI
表記:N~6~-[(1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl]-N~6~-methyl-L-lysine
組成式:C14 H26 N2 O2
SMILES:CN(CCCCC(N)C(=O)O)C1CC2CCC1C2
InChi:InChI=1S/C14H26N2O2/c1-16(7-3-2-4-12(15)14(17)18)13-9-10-5-6-11(13)8-10/h10-13H,2-9,15H2,1H3,(H,17,18)/t10-,11+,12-,13-/m0/s1
定義日:2021-10-26
最終更新日:2024-09-27
公開日:2021-11-17
識別子（ID）:N~6~-[(1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl]-N~6~-methyl-L-lysine
3LH
3LH
表記:N-{2-methyl-5-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1(2H)-yl]phenyl}propanamide
組成式:C25 H21 N5 O2
SMILES:O=C(Nc1c(ccc(c1)N3c2c5c(ncc2C=CC3=O)ccc(c4cnnc4)c5)C)CC
InChi:InChI=1S/C25H21N5O2/c1-3-23(31)29-22-11-19(7-4-15(22)2)30-24(32)9-6-17-12-26-21-8-5-16(10-20(21)25(17)30)18-13-27-28-14-18/h4-14H,3H2,1-2H3,(H,27,28)(H,29,31)
定義日:2014-09-12
最終更新日:2024-09-27
公開日:2016-05-04
識別子（ID）:N-{2-methyl-5-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1(2H)-yl]phenyl}propanamide

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