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ONH
ONH
表記:N~5~-hydroxy-L-ornithine
組成式:C5 H12 N2 O3
SMILES:O=C(O)C(N)CCCNO
InChi:InChI=1S/C5H12N2O3/c6-4(5(8)9)2-1-3-7-10/h4,7,10H,1-3,6H2,(H,8,9)/t4-/m0/s1
定義日:2011-06-02
最終更新日:2024-09-27
識別子（ID）:N~5~-hydroxy-L-ornithine
ONK
ONK
表記:N-hexanoyl-L-valyl-N~1~-[(3S,4S)-3-hydroxy-2,6-dimethylhept-1-en-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide
組成式:C27 H50 N4 O5
SMILES:O=C(NC(CC(C)C)C(O)C(=C)C)C(NC(=O)C(NC(=O)CCCCC)C(C)C)CCC(=O)N(C)C
InChi:InChI=1S/C27H50N4O5/c1-10-11-12-13-22(32)30-24(18(4)5)27(36)28-20(14-15-23(33)31(8)9)26(35)29-21(16-17(2)3)25(34)19(6)7/h17-18,20-21,24-25,34H,6,10-16H2,1-5,7-9H3,(H,28,36)(H,29,35)(H,30,32)/t20-,21-,24-,25-/m0/s1
別名:vinylketone carmaphycin analogue VNK1, single bound form
定義日:2012-11-01
最終更新日:2024-09-27
公開日:2014-01-29
識別子（ID）:N-hexanoyl-L-valyl-N~1~-[(3S,4S)-3-hydroxy-2,6-dimethylhept-1-en-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide
ONL
ONL
表記:5-OXO-L-NORLEUCINE
組成式:C6 H11 N O3
SMILES:O=C(CCC(N)C(=O)O)C
InChi:InChI=1S/C6H11NO3/c1-4(8)2-3-5(7)6(9)10/h5H,2-3,7H2,1H3,(H,9,10)/t5-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:5-oxo-L-norleucine
7UV
7UV
表記:(3-{(E)-2-[2-chloro-4-(hydroxyboranyl)phenyl]ethenyl}phenyl)boronic acid
組成式:C14 H13 B2 Cl O3
SMILES:c1(BO)ccc(c(c1)Cl)[C@H]=[C@H]c2cc(ccc2)B(O)O
InChi:InChI=1S/C14H13B2ClO3/c17-14-9-12(15-18)7-6-11(14)5-4-10-2-1-3-13(8-10)16(19)20/h1-9,15,18-20H/b5-4+
定義日:2016-12-06
最終更新日:2024-09-27
公開日:2017-09-27
識別子（ID）:(3-{(E)-2-[2-chloro-4-(hydroxyboranyl)phenyl]ethenyl}phenyl)boronic acid
7V2
7V2
表記:N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide
組成式:C27 H42 N4 O6
SMILES:CC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CC(C)(C)C)C(=O)NC(CC1CCNC1=O)CO
InChi:InChI=1S/C27H42N4O6/c1-17(2)22(31-26(36)37-16-18-9-7-6-8-10-18)25(35)30-21(14-27(3,4)5)24(34)29-20(15-32)13-19-11-12-28-23(19)33/h6-10,17,19-22,32H,11-16H2,1-5H3,(H,28,33)(H,29,34)(H,30,35)(H,31,36)/t19-,20-,21-,22-/m0/s1
定義日:2021-08-22
最終更新日:2024-09-27
公開日:2022-07-20
識別子（ID）:N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide
7V9
7V9
表記:~{S}-[2-[3-[[(2~{S})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] pyridine-3-carbothioate
組成式:C17 H26 N3 O8 P S
SMILES:CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)NCCSC(=O)c1cccnc1
InChi:InChI=1S/C17H26N3O8PS/c1-17(2,11-28-29(25,26)27)14(22)15(23)20-7-5-13(21)19-8-9-30-16(24)12-4-3-6-18-10-12/h3-4,6,10,14,22H,5,7-9,11H2,1-2H3,(H,19,21)(H,20,23)(H2,25,26,27)/t14-/m1/s1
定義日:2017-01-19
最終更新日:2024-09-27
公開日:2018-02-07
識別子（ID）:~{S}-[2-[3-[[(2~{S})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] pyridine-3-carbothioate
7VB
7VB
表記:N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methylidene-L-norvalinamide
組成式:C26 H38 N4 O6
SMILES:CC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CC(=C)C)C(=O)NC(CC1CCNC1=O)CO
InChi:InChI=1S/C26H38N4O6/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/h5-9,17,19-22,31H,1,10-15H2,2-4H3,(H,27,32)(H,28,33)(H,29,34)(H,30,35)/t19-,20-,21-,22-/m0/s1
定義日:2021-08-23
最終更新日:2024-09-27
公開日:2022-07-20
識別子（ID）:N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methylidene-L-norvalinamide
OOG
OOG
表記:2-OXOADIPIC ACID
組成式:C6 H8 O5
SMILES:O=C(C(=O)O)CCCC(=O)O
InChi:InChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11)
定義日:2015-01-21
最終更新日:2024-09-27
公開日:2015-01-28
識別子（ID）:2-oxohexanedioic acid
7VI
7VI
表記:N-[(benzyloxy)carbonyl]-L-valyl-3-cyclopropyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
組成式:C26 H38 N4 O6
SMILES:CC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CC1CC1)C(=O)NC(CC1CCNC1=O)CO
InChi:InChI=1S/C26H38N4O6/c1-16(2)22(30-26(35)36-15-18-6-4-3-5-7-18)25(34)29-21(12-17-8-9-17)24(33)28-20(14-31)13-19-10-11-27-23(19)32/h3-7,16-17,19-22,31H,8-15H2,1-2H3,(H,27,32)(H,28,33)(H,29,34)(H,30,35)/t19-,20-,21-,22-/m0/s1
定義日:2021-08-23
最終更新日:2024-09-27
公開日:2022-07-20
識別子（ID）:N-[(benzyloxy)carbonyl]-L-valyl-3-cyclopropyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
OOL
OOL
表記:(E)-1-(4,6-dimethoxypyrimidin-2-yl)methanimine
組成式:C7 H9 N3 O2
SMILES:N=Cc1nc(OC)cc(OC)n1
InChi:InChI=1S/C7H9N3O2/c1-11-6-3-7(12-2)10-5(4-8)9-6/h3-4,8H,1-2H3/b8-4+
定義日:2023-08-17
最終更新日:2024-09-27
公開日:2023-11-08
識別子（ID）:(E)-1-(4,6-dimethoxypyrimidin-2-yl)methanimine
7VQ
7VQ
表記:N-[(benzyloxy)carbonyl]-L-valyl-3-furan-2-yl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
組成式:C27 H36 N4 O7
SMILES:O=C1NCCC1CC(CO)NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)C(C)C)Cc1ccco1
InChi:InChI=1S/C27H36N4O7/c1-17(2)23(31-27(36)38-16-18-7-4-3-5-8-18)26(35)30-22(14-21-9-6-12-37-21)25(34)29-20(15-32)13-19-10-11-28-24(19)33/h3-9,12,17,19-20,22-23,32H,10-11,13-16H2,1-2H3,(H,28,33)(H,29,34)(H,30,35)(H,31,36)/t19-,20-,22-,23-/m0/s1
定義日:2021-08-23
最終更新日:2024-09-27
公開日:2022-07-20
識別子（ID）:N-[(benzyloxy)carbonyl]-L-valyl-3-furan-2-yl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
7VU
7VU
表記:(2S)-2-(ethylamino)-3-(4-methylphenyl)propanoic acid
組成式:C12 H17 N O2
SMILES:CCN[CH](Cc1ccc(C)cc1)C(O)=O
InChi:InChI=1S/C12H17NO2/c1-3-13-11(12(14)15)8-10-6-4-9(2)5-7-10/h4-7,11,13H,3,8H2,1-2H3,(H,14,15)/t11-/m0/s1
定義日:2021-10-29
最終更新日:2024-09-27
公開日:2023-07-26
識別子（ID）:(2~{S})-2-(ethylamino)-3-(4-methylphenyl)propanoic acid
7VW
7VW
表記:N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide
組成式:C30 H48 N4 O7
SMILES:CC(C)(C)OC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CC(C)(C)C)C(=O)NC(CC1CCNC1=O)CO
InChi:InChI=1S/C30H48N4O7/c1-19(41-30(5,6)7)24(34-28(39)40-18-20-11-9-8-10-12-20)27(38)33-23(16-29(2,3)4)26(37)32-22(17-35)15-21-13-14-31-25(21)36/h8-12,19,21-24,35H,13-18H2,1-7H3,(H,31,36)(H,32,37)(H,33,38)(H,34,39)/t19-,21+,22+,23+,24+/m1/s1
定義日:2021-08-23
最終更新日:2024-09-27
公開日:2022-07-20
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}-4-methyl-L-leucinamide
OP0
OP0
表記:(2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide
組成式:C9 H18 N4 O7 S
SMILES:O=CN1C(C(=O)NOCCN)CCC(NOS(=O)(=O)O)C1
InChi:InChI=1S/C9H18N4O7S/c10-3-4-19-12-9(15)8-2-1-7(5-13(8)6-14)11-20-21(16,17)18/h6-8,11H,1-5,10H2,(H,12,15)(H,16,17,18)/t7-,8+/m1/s1
定義日:2014-12-09
最終更新日:2024-09-27
公開日:2015-07-01
識別子（ID）:(2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide
7W2
7W2
表記:(2S)-2-azanyl-4-[3,5-bis(fluoranyl)-4-(trifluoromethyl)phenyl]butanoic acid
組成式:C11 H10 F5 N O2
SMILES:N[CH](CCc1cc(F)c(c(F)c1)C(F)(F)F)C(O)=O
InChi:InChI=1S/C11H10F5NO2/c12-6-3-5(1-2-8(17)10(18)19)4-7(13)9(6)11(14,15)16/h3-4,8H,1-2,17H2,(H,18,19)/t8-/m0/s1
定義日:2021-10-29
最終更新日:2024-09-27
公開日:2023-07-26
識別子（ID）:(2~{S})-2-azanyl-4-[3,5-bis(fluoranyl)-4-(trifluoromethyl)phenyl]butanoic acid
7W5
7W5
表記:N-[(benzyloxy)carbonyl]-3-methyl-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide
組成式:C28 H44 N4 O6
SMILES:CC(C)(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CC(C)(C)C)C(=O)NC(CC1CCNC1=O)CO
InChi:InChI=1S/C28H44N4O6/c1-27(2,3)15-21(24(35)30-20(16-33)14-19-12-13-29-23(19)34)31-25(36)22(28(4,5)6)32-26(37)38-17-18-10-8-7-9-11-18/h7-11,19-22,33H,12-17H2,1-6H3,(H,29,34)(H,30,35)(H,31,36)(H,32,37)/t19-,20-,21-,22+/m0/s1
定義日:2021-08-23
最終更新日:2024-09-27
公開日:2022-07-20
識別子（ID）:N-[(benzyloxy)carbonyl]-3-methyl-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide
7WC
7WC
表記:(3S)-4-(dimethylamino)-3-(methylamino)-4-oxidanylidene-butanoic acid
組成式:C7 H14 N2 O3
SMILES:CN[CH](CC(O)=O)C(=O)N(C)C
InChi:InChI=1S/C7H14N2O3/c1-8-5(4-6(10)11)7(12)9(2)3/h5,8H,4H2,1-3H3,(H,10,11)/t5-/m0/s1
定義日:2021-10-29
最終更新日:2024-09-27
公開日:2023-07-26
識別子（ID）:(3~{S})-4-(dimethylamino)-3-(methylamino)-4-oxidanylidene-butanoic acid
OPE
OPE
表記:PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER
組成式:C2 H8 N O4 P
SMILES:O=P(O)(O)OCCN
InChi:InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)
別名:COLAMINE PHOSPHORIC ACID
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:2-aminoethyl dihydrogen phosphate
7WJ
7WJ
表記:(2S)-2-amino-4-[([1~2~,2~2~:2~6~,3~2~-terpyridine]-2~4~-carbonyl)amino]butanoic acid
組成式:C20 H19 N5 O3
SMILES:C(=O)(O)C(CCNC(c2cc(c1ncccc1)nc(c2)c3ccccn3)=O)N
InChi:InChI=1S/C20H19N5O3/c21-14(20(27)28)7-10-24-19(26)13-11-17(15-5-1-3-8-22-15)25-18(12-13)16-6-2-4-9-23-16/h1-6,8-9,11-12,14H,7,10,21H2,(H,24,26)(H,27,28)/t14-/m0/s1
定義日:2016-12-08
最終更新日:2024-09-27
公開日:2017-02-22
識別子（ID）:(2S)-2-amino-4-[([1~2~,2~2~:2~6~,3~2~-terpyridine]-2~4~-carbonyl)amino]butanoic acid
OPL
OPL
表記:(2R,3R)-2,4,4-trihydroxy-3-methylbutanal
組成式:C5 H10 O4
SMILES:O=CC(O)C(C)C(O)O
InChi:InChI=1S/C5H10O4/c1-3(5(8)9)4(7)2-6/h2-5,7-9H,1H3/t3-,4+/m1/s1
定義日:2012-12-21
最終更新日:2024-09-27
公開日:2013-01-18
識別子（ID）:(2R,3R)-2,4,4-trihydroxy-3-methylbutanal
7WO
7WO
表記:2-hydroxynaphthalene-1-carbaldehyde
組成式:C11 H8 O2
SMILES:c2ccc1c(C=O)c(ccc1c2)O
InChi:InChI=1S/C11H8O2/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13/h1-7,13H
定義日:2016-12-09
最終更新日:2024-09-27
公開日:2017-02-15
識別子（ID）:2-hydroxynaphthalene-1-carbaldehyde
OPP
OPP
表記:1-[PYRROL-1-YL-2,5-DIONE-METHOXYMETHYL]-PYRROLE-2,5-DIONE
組成式:C10 H8 N2 O5
SMILES:O=C1N(C(=O)C=C1)COCN2C(=O)C=CC2=O
InChi:InChI=1S/C10H8N2O5/c13-7-1-2-8(14)11(7)5-17-6-12-9(15)3-4-10(12)16/h1-4H,5-6H2
定義日:2001-09-06
最終更新日:2024-09-27
識別子（ID）:1,1'-(oxydimethanediyl)bis(1H-pyrrole-2,5-dione)
7WP
7WP
表記:2,4-diaminopteridine-6-carbaldehyde
組成式:C7 H6 N6 O
SMILES:c12nc(C=O)cnc1nc(N)nc2N
InChi:InChI=1S/C7H6N6O/c8-5-4-6(13-7(9)12-5)10-1-3(2-14)11-4/h1-2H,(H4,8,9,10,12,13)
定義日:2016-12-08
最終更新日:2024-09-27
公開日:2017-02-08
識別子（ID）:2,4-diaminopteridine-6-carbaldehyde
OPR
OPR
表記:(5S)-5-amino-8-carbamimidamido-4-oxooctanoic acid
組成式:C9 H18 N4 O3
SMILES:O=C(C(N)CCCNC(=[N@H])N)CCC(=O)O
InChi:InChI=1S/C9H18N4O3/c10-6(2-1-5-13-9(11)12)7(14)3-4-8(15)16/h6H,1-5,10H2,(H,15,16)(H4,11,12,13)/t6-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(5S)-5-amino-8-carbamimidamido-4-oxooctanoic acid
OPS
OPS
表記:3-OXO-3-[(3-OXOPROPYL)SULFANYL]PROPANE-1-THIOLATE
組成式:C6 H9 O2 S2
SMILES:O=C(SCCC=O)CC[S-]
InChi:InChI=1S/C6H10O2S2/c7-3-1-5-10-6(8)2-4-9/h3,9H,1-2,4-5H2/p-1
別名:2-(3-OXO-PROPYLSULFANYLCARBONYL)-ETHANETHIOLATE
定義日:2004-05-06
最終更新日:2024-09-27
識別子（ID）:3-oxo-3-[(3-oxopropyl)sulfanyl]propane-1-thiolate

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