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2BL
2BL
表記:(3R)-3-ethyl-N-[(4-methylphenyl)sulfonyl]-L-aspartic acid
組成式:C13 H17 N O6 S
SMILES:O=S(=O)(c1ccc(cc1)C)NC(C(=O)O)C(C(=O)O)CC
InChi:InChI=1S/C13H17NO6S/c1-3-10(12(15)16)11(13(17)18)14-21(19,20)9-6-4-8(2)5-7-9/h4-7,10-11,14H,3H2,1-2H3,(H,15,16)(H,17,18)/t10-,11+/m1/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(3R)-3-ethyl-N-[(4-methylphenyl)sulfonyl]-L-aspartic acid
2BO
2BO
表記:N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-threonine
組成式:C12 H19 N2 O8 P
SMILES:O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)C(O)C
InChi:InChI=1S/C12H19N2O8P/c1-6-11(16)9(4-14-10(7(2)15)12(17)18)8(3-13-6)5-22-23(19,20)21/h3,7,10,14-16H,4-5H2,1-2H3,(H,17,18)(H2,19,20,21)/t7-,10+/m1/s1
定義日:2013-09-18
最終更新日:2024-09-27
公開日:2013-11-06
識別子（ID）:N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-threonine
2CA
2CA
表記:BENZOFURAN-2-CARBOXYLIC ACID {(S)-3-METHYL-1-[3-OXO-1-(PYRIDIN-2-YLSULFONYL)AZEPAN-4-YLCARBAMOYL]BUTYL}AMIDE
組成式:C26 H30 N4 O6 S
SMILES:O=S(=O)(c1ncccc1)N4CC(=O)C(NC(=O)C(NC(=O)c3oc2ccccc2c3)CC(C)C)CCC4
InChi:InChI=1S/C26H30N4O6S/c1-17(2)14-20(29-26(33)23-15-18-8-3-4-10-22(18)36-23)25(32)28-19-9-7-13-30(16-21(19)31)37(34,35)24-11-5-6-12-27-24/h3-6,8,10-12,15,17,19-20H,7,9,13-14,16H2,1-2H3,(H,28,32)(H,29,33)/t19-,20-/m0/s1
定義日:2003-01-09
最終更新日:2024-09-27
識別子（ID）:N-[(1S)-3-methyl-1-{[(4S)-3-oxo-1-(pyridin-2-ylsulfonyl)azepan-4-yl]carbamoyl}butyl]-1-benzofuran-2-carboxamide
2CO
2CO
表記:S-HYDROPEROXYCYSTEINE
組成式:C3 H7 N O4 S
SMILES:O=C(O)C(N)CSOO
InChi:InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9-8-7/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
定義日:2007-01-16
最終更新日:2024-09-27
識別子（ID）:S-hydroperoxy-L-cysteine
VGX
VGX
表記:4-hydroxy-2-oxobutanoic acid
組成式:C4 H6 O4
SMILES:C(CC(=O)C(O)=O)O
InChi:InChI=1S/C4H6O4/c5-2-1-3(6)4(7)8/h5H,1-2H2,(H,7,8)
定義日:2016-08-03
最終更新日:2024-09-27
公開日:2016-09-14
識別子（ID）:4-hydroxy-2-oxobutanoic acid
2DA
2DA
表記:2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATE
組成式:C10 H14 N5 O5 P
SMILES:O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3
InChi:InChI=1S/C10H14N5O5P/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(20-7)3-19-21(16,17)18/h4-7H,1-3H2,(H2,11,12,13)(H2,16,17,18)/t6-,7+/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:[(2S,5R)-5-(6-amino-9H-purin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
2DB
2DB
表記:(S)-(2,3-DIHYDROXYPROPOXY)TRIHYDROXYBORATE
組成式:C3 H10 B O6
SMILES:O[B-](O)(O)OCC(O)CO
InChi:InChI=1S/C3H10BO6/c5-1-3(6)2-10-4(7,8)9/h3,5-9H,1-2H2/q-1/t3-/m0/s1
定義日:2006-09-19
最終更新日:2024-09-27
識別子（ID）:trihydroxy[(2S)-propane-1,2,3-triolato-kappaO~1~]borate(1-)
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
VHF
VHF
表記:(2~{S})-2-azanyl-5-oxidanylidene-5-phosphonooxy-pentanoic acid
組成式:C5 H10 N O7 P
SMILES:N[CH](CCC(=O)O[P](O)(O)=O)C(O)=O
InChi:InChI=1S/C5H10NO7P/c6-3(5(8)9)1-2-4(7)13-14(10,11)12/h3H,1-2,6H2,(H,8,9)(H2,10,11,12)/t3-/m0/s1
定義日:2023-03-06
最終更新日:2024-09-27
公開日:2023-03-15
識別子（ID）:(2~{S})-2-azanyl-5-oxidanylidene-5-phosphonooxy-pentanoic acid
VHG
VHG
表記:3-[2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-5-[[(3~{S})-4-ethyl-3-methyl-2-oxidanylidene-1,3-dihydropyrrol-5-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid
組成式:C33 H40 N4 O6
SMILES:CCC1=C(Cc2[nH]c(Cc3[nH]c(CC4=NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C)NC(=O)[CH]1C
InChi:InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8,19,34-35H,2,7,9-15H2,1,3-6H3,(H,37,42)(H,38,39)(H,40,41)/t19-/m0/s1
定義日:2020-08-12
最終更新日:2024-09-27
公開日:2021-10-06
識別子（ID）:3-[2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-5-[[(3~{S})-4-ethyl-3-methyl-2-oxidanylidene-1,3-dihydropyrrol-5-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic 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
VHJ
VHJ
表記:N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propan-2-yl}-L-phenylalaninamide
組成式:C29 H38 N4 O6
SMILES:c1ccc(cc1)COC(NC(C(=O)NC(C(NC(CC2C(NCC2)=O)CO)=O)Cc3ccccc3)C(C)C)=O
InChi:InChI=1S/C29H38N4O6/c1-19(2)25(33-29(38)39-18-21-11-7-4-8-12-21)28(37)32-24(15-20-9-5-3-6-10-20)27(36)31-23(17-34)16-22-13-14-30-26(22)35/h3-12,19,22-25,34H,13-18H2,1-2H3,(H,30,35)(H,31,36)(H,32,37)(H,33,38)/t22-,23-,24-,25-/m0/s1
定義日:2020-08-12
最終更新日:2024-09-27
公開日:2020-12-23
識別子（ID）:N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide
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
VHM
VHM
表記:N-[(benzyloxy)carbonyl]-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
組成式:C29 H44 N4 O6
SMILES:c1ccc(cc1)COC(NC(C(C)C)C(=O)NC(C(NC(CC2C(NCC2)=O)CO)=O)CC3CCCCC3)=O
InChi:InChI=1S/C29H44N4O6/c1-19(2)25(33-29(38)39-18-21-11-7-4-8-12-21)28(37)32-24(15-20-9-5-3-6-10-20)27(36)31-23(17-34)16-22-13-14-30-26(22)35/h4,7-8,11-12,19-20,22-25,34H,3,5-6,9-10,13-18H2,1-2H3,(H,30,35)(H,31,36)(H,32,37)(H,33,38)/t22-,23-,24-,25-/m0/s1
定義日:2020-08-12
最終更新日:2024-09-27
公開日:2020-12-23
識別子（ID）:N-[(benzyloxy)carbonyl]-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
VHP
VHP
表記:N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
組成式:C29 H46 N4 O7
SMILES:c1ccc(cc1)COC(NC(C(=O)NC(C(=O)NC(CC2C(NCC2)=O)CO)CC(C)C)C(C)OC(C)(C)C)=O
InChi:InChI=1S/C29H46N4O7/c1-18(2)14-23(26(36)31-22(16-34)15-21-12-13-30-25(21)35)32-27(37)24(19(3)40-29(4,5)6)33-28(38)39-17-20-10-8-7-9-11-20/h7-11,18-19,21-24,34H,12-17H2,1-6H3,(H,30,35)(H,31,36)(H,32,37)(H,33,38)/t19-,21+,22+,23+,24+/m1/s1
定義日:2020-08-13
最終更新日:2024-09-27
公開日:2020-12-23
識別子（ID）:N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
VHV
VHV
表記:N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
組成式:C26 H40 N4 O6
SMILES:c1ccc(cc1)COC(NC(C(C)C)C(=O)NC(C(NC(CO)CC2C(=O)NCC2)=O)CC(C)C)=O
InChi:InChI=1S/C26H40N4O6/c1-16(2)12-21(24(33)28-20(14-31)13-19-10-11-27-23(19)32)29-25(34)22(17(3)4)30-26(35)36-15-18-8-6-5-7-9-18/h5-9,16-17,19-22,31H,10-15H2,1-4H3,(H,27,32)(H,28,33)(H,29,34)(H,30,35)/t19-,20-,21-,22-/m0/s1
定義日:2020-08-13
最終更新日:2024-09-27
公開日:2020-12-23
識別子（ID）:N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
VI3
VI3
表記:(2~{R})-2-azanyl-3-[bis(oxidanylidene)-$l^{5}-sulfanyl]propanoic acid
組成式:C3 H6 N O4 S
SMILES:N[CH](C[S-](=O)=O)C(O)=O
InChi:InChI=1S/C3H6NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)/q-1/t2-/m0/s1
定義日:2023-03-07
最終更新日:2024-09-27
公開日:2023-03-15
識別子（ID）:(2~{R})-2-azanyl-3-sulfinato-propanoic 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
VIG
VIG
表記:4-AMINO HEXANOIC ACID
組成式:C6 H13 N O2
SMILES:O=C(O)CCC(N)CC
InChi:InChI=1S/C6H13NO2/c1-2-5(7)3-4-6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m1/s1
定義日:2003-06-03
最終更新日:2024-09-27
識別子（ID）:(4R)-4-aminohexanoic 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
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
VJ8
VJ8
表記:edaGDP
組成式:C16 H25 N7 O13 P2
SMILES:CCC(=O)NCCNC(=O)O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)n2cnc3C(=O)NC(=Nc23)N
InChi:InChI=1S/C16H25N7O13P2/c1-2-8(24)18-3-4-19-16(27)35-11-7(5-33-38(31,32)36-37(28,29)30)34-14(10(11)25)23-6-20-9-12(23)21-15(17)22-13(9)26/h6-7,10-11,14,25H,2-5H2,1H3,(H,18,24)(H,19,27)(H,31,32)(H2,28,29,30)(H3,17,21,22,26)/t7-,10-,11-,14-/m1/s1
別名:[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] ~{N}-[2-(propanoylamino)ethyl]carbamate
定義日:2021-05-18
最終更新日:2024-09-27
公開日:2022-08-03
識別子（ID）:[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] ~{N}-[2-(propanoylamino)ethyl]carbamate
2FG
2FG
表記:2-deoxy-2-fluoro-beta-D-galactopyranose
組成式:C6 H11 F O5
SMILES:FC1C(O)C(O)C(OC1O)CO
InChi:InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
別名:2-FLUORO-2-DEOXY-BETA-D-GALACTOPYRANOSE
定義日:2001-10-02
最終更新日:2024-09-27
識別子（ID）:2-deoxy-2-fluoro-beta-D-galactopyranose
VJA
VJA
表記:N-[(benzyloxy)carbonyl]-L-valyl-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
組成式:C26 H40 N4 O6
SMILES:c1ccc(cc1)COC(NC(C(C)C)C(=O)NC(C(NC(CO)CC2C(=O)NCC2)=O)CC(C)C)=O
InChi:InChI=1S/C26H40N4O6/c1-16(2)12-21(24(33)28-20(14-31)13-19-10-11-27-23(19)32)29-25(34)22(17(3)4)30-26(35)36-15-18-8-6-5-7-9-18/h5-9,16-17,19-22,31H,10-15H2,1-4H3,(H,27,32)(H,28,33)(H,29,34)(H,30,35)/t19-,20+,21-,22-/m0/s1
定義日:2020-08-14
最終更新日:2024-09-27
公開日:2021-10-13
識別子（ID）:N-[(benzyloxy)carbonyl]-L-valyl-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide

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