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2JH
2JH
表記:3-cyclobutyl-L-alanine
組成式:C7 H13 N O2
SMILES:O=C(O)C(N)CC1CCC1
InChi:InChI=1S/C7H13NO2/c8-6(7(9)10)4-5-2-1-3-5/h5-6H,1-4,8H2,(H,9,10)/t6-/m0/s1
定義日:2013-10-31
最終更新日:2024-09-27
公開日:2013-11-20
識別子（ID）:3-cyclobutyl-L-alanine
2JN
2JN
表記:2-methyl-D-norleucine
組成式:C7 H15 N O2
SMILES:O=C(O)C(N)(CCCC)C
InChi:InChI=1S/C7H15NO2/c1-3-4-5-7(2,8)6(9)10/h3-5,8H2,1-2H3,(H,9,10)/t7-/m1/s1
定義日:2013-11-01
最終更新日:2024-09-27
公開日:2014-02-19
識別子（ID）:2-methyl-D-norleucine
2JX
2JX
表記:5-[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
組成式:C10 H9 N3 O2 S
SMILES:S=C1NN=C(N1)C2Oc3ccccc3OC2
InChi:InChI=1S/C10H9N3O2S/c16-10-11-9(12-13-10)8-5-14-6-3-1-2-4-7(6)15-8/h1-4,8H,5H2,(H2,11,12,13,16)/t8-/m0/s1
定義日:2013-11-13
最終更新日:2024-09-27
公開日:2014-09-17
識別子（ID）:5-[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
2K3
2K3
表記:3-OXO-5-METHYLHEXANOIC ACID
組成式:C7 H12 O3
SMILES:O=C(CC(C)C)CC(=O)O
InChi:InChI=1S/C7H12O3/c1-5(2)3-6(8)4-7(9)10/h5H,3-4H2,1-2H3,(H,9,10)
定義日:2012-02-29
最終更新日:2024-09-27
公開日:2017-07-05
識別子（ID）:5-methyl-3-oxohexanoic acid
2KK
2KK
表記:N~6~-(4-fluorobenzoyl)-L-lysine
組成式:C13 H17 F N2 O3
SMILES:O=C(c1ccc(F)cc1)NCCCCC(C(=O)O)N
InChi:InChI=1S/C13H17FN2O3/c14-10-6-4-9(5-7-10)12(17)16-8-2-1-3-11(15)13(18)19/h4-7,11H,1-3,8,15H2,(H,16,17)(H,18,19)/t11-/m0/s1
定義日:2013-11-21
最終更新日:2024-09-27
公開日:2014-10-01
識別子（ID）:N~6~-(4-fluorobenzoyl)-L-lysine
2KP
2KP
表記:N~6~-(4-bromobenzoyl)-L-lysine
組成式:C13 H17 Br N2 O3
SMILES:O=C(c1ccc(Br)cc1)NCCCCC(C(=O)O)N
InChi:InChI=1S/C13H17BrN2O3/c14-10-6-4-9(5-7-10)12(17)16-8-2-1-3-11(15)13(18)19/h4-7,11H,1-3,8,15H2,(H,16,17)(H,18,19)/t11-/m0/s1
定義日:2013-11-21
最終更新日:2024-09-27
公開日:2014-10-01
識別子（ID）:N~6~-(4-bromobenzoyl)-L-lysine
2KT
2KT
表記:2-KETOBUTYRIC ACID
組成式:C4 H6 O3
SMILES:O=C(C(=O)O)CC
InChi:InChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)
別名:2-OXOBUTANOIC ACID
定義日:2003-12-10
最終更新日:2024-09-27
識別子（ID）:2-oxobutanoic acid
44S
44S
表記:2-deoxy-6-O-phosphono-beta-D-lyxo-hexofuranose
組成式:C6 H13 O8 P
SMILES:O=P(O)(O)OCC(O)C1OC(O)CC1O
InChi:InChI=1S/C6H13O8P/c7-3-1-5(9)14-6(3)4(8)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5-,6-/m1/s1
別名:tagatose-6-phosphate, bound form
定義日:2015-02-11
最終更新日:2024-09-27
公開日:2016-01-20
識別子（ID）:2-deoxy-6-O-phosphono-beta-D-lyxo-hexofuranose
2KY
2KY
表記:(2S)-amino(cyclopentyl)ethanoic acid
組成式:C7 H13 N O2
SMILES:O=C(O)C(N)C1CCCC1
InChi:InChI=1S/C7H13NO2/c8-6(7(9)10)5-3-1-2-4-5/h5-6H,1-4,8H2,(H,9,10)/t6-/m0/s1
定義日:2013-11-22
最終更新日:2024-09-27
公開日:2018-02-28
識別子（ID）:(2S)-amino(cyclopentyl)ethanoic acid
2L0
2L0
表記:N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-L-leucinamide
組成式:C29 H49 N3 O6
SMILES:O=C(NC(CC(C)C)C(O)C(C)CO)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C
InChi:InChI=1S/C29H49N3O6/c1-18(2)13-23(26(34)21(7)16-33)30-27(35)24(14-19(3)4)31-28(36)25(15-20(5)6)32-29(37)38-17-22-11-9-8-10-12-22/h8-12,18-21,23-26,33-34H,13-17H2,1-7H3,(H,30,35)(H,31,36)(H,32,37)/t21-,23+,24+,25+,26+/m1/s1
別名:PHQ-LEU-LEU-LEU-EPOXYKETONE, bound form
定義日:2013-11-25
最終更新日:2024-09-27
公開日:2014-02-12
識別子（ID）:N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-L-leucinamide
2L4
2L4
表記:1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxoethylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol
組成式:C11 H16 N4 O7
SMILES:O=C1NC(NCC(O)C(O)C(O)CO)=C(N=CC=O)C(=O)N1
InChi:InChI=1S/C11H16N4O7/c16-2-1-12-7-9(14-11(22)15-10(7)21)13-3-5(18)8(20)6(19)4-17/h1-2,5-6,8,17-20H,3-4H2,(H3,13,14,15,21,22)/b12-1+/t5-,6+,8-/m0/s1
別名:5-(2-oxoethylideneamino)-6-D-ribitylaminouracil
定義日:2013-11-25
最終更新日:2024-09-27
公開日:2014-04-16
識別子（ID）:1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxoethylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol
451
451
表記:N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide
組成式:C22 H27 N O7
SMILES:O=C(Nc2ccc1OCCOCCOc3ccccc3OCCOCCOc1c2)C
InChi:InChI=1S/C22H27NO7/c1-17(24)23-18-6-7-21-22(16-18)30-15-11-26-9-13-28-20-5-3-2-4-19(20)27-12-8-25-10-14-29-21/h2-7,16H,8-15H2,1H3,(H,23,24)
別名:N-(Dibenzo-18-crown-6-ether)-acetamide
定義日:2009-01-28
最終更新日:2024-09-27
識別子（ID）:N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide
2L5
2L5
表記:2-chloro-L-phenylalanine
組成式:C9 H10 Cl N O2
SMILES:Clc1ccccc1CC(C(=O)O)N
InChi:InChI=1S/C9H10ClNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
定義日:2013-11-25
最終更新日:2024-09-27
公開日:2014-10-15
識別子（ID）:2-chloro-L-phenylalanine
2L6
2L6
表記:(3S,6R,8aS)-5-oxo-1,2,3,8a-tetrahydrospiro[indolizine-6,2'-pyrrolidine]-3-carboxylic acid
組成式:C12 H16 N2 O3
SMILES:O=C(O)C3N2C(=O)C1(NCCC1)C=CC2CC3
InChi:InChI=1S/C12H16N2O3/c15-10(16)9-3-2-8-4-6-12(5-1-7-13-12)11(17)14(8)9/h4,6,8-9,13H,1-3,5,7H2,(H,15,16)/t8-,9-,12+/m0/s1
定義日:2013-11-25
最終更新日:2024-09-27
公開日:2014-10-15
識別子（ID）:(3S,6R,8aS)-5-oxo-1,2,3,8a-tetrahydrospiro[indolizine-6,2'-pyrrolidine]-3-carboxylic acid
45F
45F
表記:(4S)-4-(prop-2-yn-1-yloxy)-L-proline
組成式:C8 H11 N O3
SMILES:O=C(O)C1NCC(OCC#C)C1
InChi:InChI=1S/C8H11NO3/c1-2-3-12-6-4-7(8(10)11)9-5-6/h1,6-7,9H,3-5H2,(H,10,11)/t6-,7-/m0/s1
定義日:2015-02-09
最終更新日:2024-09-27
公開日:2015-02-25
識別子（ID）:(4S)-4-(prop-2-yn-1-yloxy)-L-proline
2LJ
2LJ
表記:1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol
組成式:C12 H20 N4 O6
SMILES:C1(=O)NC(NC(=C1N=CCC)NCC(O)C(O)C(O)CO)=O
InChi:InChI=1S/C12H20N4O6/c1-2-3-13-8-10(15-12(22)16-11(8)21)14-4-6(18)9(20)7(19)5-17/h3,6-7,9,17-20H,2,4-5H2,1H3,(H3,14,15,16,21,22)/b13-3+/t6-,7+,9-/m0/s1
別名:5-(2-oxopropylideneamino)-6-D-ribitylaminouracil
定義日:2013-11-27
最終更新日:2024-09-27
公開日:2014-04-16
識別子（ID）:1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol
2LR
2LR
表記:N-[(benzyloxy)carbonyl]-L-leucyl-N-{(1R,2S)-1-hydroxy-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-2-yl}-L-leucinamide
組成式:C29 H47 N3 O6
SMILES:O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(C(O)C2(OC2)C)CC(C)C)CC(C)C)CC(C)C
InChi:InChI=1S/C29H47N3O6/c1-18(2)13-22(25(33)29(7)17-38-29)30-26(34)23(14-19(3)4)31-27(35)24(15-20(5)6)32-28(36)37-16-21-11-9-8-10-12-21/h8-12,18-20,22-25,33H,13-17H2,1-7H3,(H,30,34)(H,31,35)(H,32,36)/t22-,23-,24-,25+,29+/m0/s1
別名:PHQ-LEU-LEU-LEU-EPOXYKETONE, unbound form
定義日:2013-11-28
最終更新日:2024-09-27
公開日:2014-02-12
識別子（ID）:N-[(benzyloxy)carbonyl]-L-leucyl-N-{(1R,2S)-1-hydroxy-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-2-yl}-L-leucinamide
2LT
2LT
表記:3,5-dichloro-L-tyrosine
組成式:C9 H9 Cl2 N O3
SMILES:Clc1cc(cc(Cl)c1O)CC(C(=O)O)N
InChi:InChI=1S/C9H9Cl2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1
定義日:2013-12-18
最終更新日:2024-09-27
公開日:2014-09-24
識別子（ID）:3,5-dichloro-L-tyrosine
2LV
2LV
表記:N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S,3S)-2-hydroxy-5-methyl-1-oxo-1-(phenylamino)hexan-3-yl]-L-leucinamide
組成式:C33 H48 N4 O6
SMILES:O=C(Nc1ccccc1)C(O)C(NC(=O)C(NC(=O)C(NC(=O)OCc2ccccc2)CC(C)C)CC(C)C)CC(C)C
InChi:InChI=1S/C33H48N4O6/c1-21(2)17-26(29(38)32(41)34-25-15-11-8-12-16-25)35-30(39)27(18-22(3)4)36-31(40)28(19-23(5)6)37-33(42)43-20-24-13-9-7-10-14-24/h7-16,21-23,26-29,38H,17-20H2,1-6H3,(H,34,41)(H,35,39)(H,36,40)(H,37,42)/t26-,27-,28-,29-/m0/s1
別名:PHQ-Leu-Leu-Leu-ketoamide, bound form
定義日:2013-11-29
最終更新日:2024-09-27
公開日:2014-02-12
識別子（ID）:N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S,3S)-2-hydroxy-5-methyl-1-oxo-1-(phenylamino)hexan-3-yl]-L-leucinamide
45W
45W
表記:(4S)-4-(ethynyloxy)-D-proline
組成式:C7 H9 N O3
SMILES:O=C(O)C1NCC(OC#C)C1
InChi:InChI=1S/C7H9NO3/c1-2-11-5-3-6(7(9)10)8-4-5/h1,5-6,8H,3-4H2,(H,9,10)/t5-,6+/m0/s1
定義日:2015-02-10
最終更新日:2024-09-27
公開日:2015-05-13
識別子（ID）:(4S)-4-(ethynyloxy)-D-proline
2M1
2M1
表記:N-[(benzyloxy)carbonyl]-L-leucyl-N-[(3S)-5-methyl-1-(methylsulfonyl)hexan-3-yl]-L-leucinamide
組成式:C28 H47 N3 O6 S
SMILES:O=S(=O)(C)CCC(NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C)CC(C)C
InChi:InChI=1S/C28H47N3O6S/c1-19(2)15-23(13-14-38(7,35)36)29-26(32)24(16-20(3)4)30-27(33)25(17-21(5)6)31-28(34)37-18-22-11-9-8-10-12-22/h8-12,19-21,23-25H,13-18H2,1-7H3,(H,29,32)(H,30,33)(H,31,34)/t23-,24+,25+/m1/s1
別名:PHQ-Leu-Leu-Leu-vinylsulfone
定義日:2013-12-02
最終更新日:2024-09-27
公開日:2014-02-12
識別子（ID）:N-[(benzyloxy)carbonyl]-L-leucyl-N-[(3S)-5-methyl-1-(methylsulfonyl)hexan-3-yl]-L-leucinamide
2MK
2MK
表記:N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2R,3S)-1,2-dihydroxy-5-methylhexan-3-yl]-L-leucinamide
組成式:C27 H45 N3 O6
SMILES:O=C(NC(CC(C)C)C(O)CO)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C
InChi:InChI=1S/C27H45N3O6/c1-17(2)12-21(24(32)15-31)28-25(33)22(13-18(3)4)29-26(34)23(14-19(5)6)30-27(35)36-16-20-10-8-7-9-11-20/h7-11,17-19,21-24,31-32H,12-16H2,1-6H3,(H,28,33)(H,29,34)(H,30,35)/t21-,22-,23-,24-/m0/s1
別名:PHQ-Leu-Leu-Leu-ketoaldehyde, bound form
定義日:2013-12-04
最終更新日:2024-09-27
公開日:2014-02-12
識別子（ID）:N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2R,3S)-1,2-dihydroxy-5-methylhexan-3-yl]-L-leucinamide
2ML
2ML
表記:2-METHYLLEUCINE
組成式:C7 H15 N O2
SMILES:O=C(O)C(N)(C)CC(C)C
InChi:InChI=1S/C7H15NO2/c1-5(2)4-7(3,8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t7-/m0/s1
定義日:2001-02-08
最終更新日:2024-09-27
識別子（ID）:2-methyl-L-leucine
2MM
2MM
表記:N,N-dimethyl-L-methionine
組成式:C7 H15 N O2 S
SMILES:O=C(O)C(N(C)C)CCSC
InChi:InChI=1S/C7H15NO2S/c1-8(2)6(7(9)10)4-5-11-3/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m0/s1
定義日:2008-03-14
最終更新日:2024-09-27
識別子（ID）:N,N-dimethyl-L-methionine
2MR
2MR
表記:N3, N4-DIMETHYLARGININE
組成式:C8 H18 N4 O2
SMILES:O=C(O)C(N)CCCNC(=N/C)NC
InChi:InChI=1S/C8H18N4O2/c1-10-8(11-2)12-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H,13,14)(H2,10,11,12)/t6-/m0/s1
定義日:2000-11-03
最終更新日:2024-09-27
識別子（ID）:N~5~-(N,N'-dimethylcarbamimidoyl)-L-ornithine

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