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3LX
3LX
表記:tridecanethial
組成式:C13 H26 S
SMILES:S=CCCCCCCCCCCCC
InChi:InChI=1S/C13H26S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3
定義日:2014-09-20
最終更新日:2024-09-27
公開日:2015-03-11
識別子（ID）:tridecanethial
9S7
9S7
表記:5-acetamido-2,6-anhydro-3,5,8-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid
組成式:C11 H18 F N O7
SMILES:O=C(O)C1C(F)C(C(C(O1)C(O)CCO)NC(=O)C)O
InChi:InChI=1S/C11H18FNO7/c1-4(15)13-7-8(17)6(12)10(11(18)19)20-9(7)5(16)2-3-14/h5-10,14,16-17H,2-3H2,1H3,(H,13,15)(H,18,19)/t5-,6-,7-,8+,9+,10+/m1/s1
別名:5-(acetylamino)-2,6-anhydro-3,5,8-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid
定義日:2017-06-07
最終更新日:2024-09-27
公開日:2018-02-21
識別子（ID）:5-(acetylamino)-2,6-anhydro-3,5,8-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid
9SJ
9SJ
表記:5-acetamido-2,6-anhydro-3,5,7-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid
組成式:C11 H18 F N O7
SMILES:O=C(C)NC1C(O)C(F)C(OC1CC(CO)O)C(=O)O
InChi:InChI=1S/C11H18FNO7/c1-4(15)13-8-6(2-5(16)3-14)20-10(11(18)19)7(12)9(8)17/h5-10,14,16-17H,2-3H2,1H3,(H,13,15)(H,18,19)/t5-,6-,7+,8-,9-,10-/m0/s1
別名:5-(acetylamino)-2,6-anhydro-3,5,7-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid
定義日:2017-06-07
最終更新日:2024-09-27
公開日:2018-02-21
識別子（ID）:5-(acetylamino)-2,6-anhydro-3,5,7-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid
9SL
9SL
表記:[(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
組成式:C10 H17 N7 O4
SMILES:C132C(CCN1C(=NC(COC(=O)N)C2NC(=N3)N)N)(O)O
InChi:InChI=1S/C10H17N7O4/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t4-,5-,10-/m0/s1
別名:Saxitoxin
定義日:2018-07-18
最終更新日:2024-09-27
公開日:2018-08-08
識別子（ID）:[(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
9SV
9SV
表記:2-(4-methylpiperazin-1-yl)-3-(phenylsulfanyl)naphthalene-1,4-dione
組成式:C21 H20 N2 O2 S
SMILES:C1N(CCN(C1)C2=C(C(c3ccccc3C2=O)=O)Sc4ccccc4)C
InChi:InChI=1S/C21H20N2O2S/c1-22-11-13-23(14-12-22)18-19(24)16-9-5-6-10-17(16)20(25)21(18)26-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
別名:BOUND FORM
定義日:2017-06-07
最終更新日:2024-09-27
公開日:2017-06-21
識別子（ID）:2-(4-methylpiperazin-1-yl)-3-(phenylsulfanyl)naphthalene-1,4-dione
9SW
9SW
表記:methoxy-[(3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]pentadecyl]phosphinic acid
組成式:C21 H41 O6 P
SMILES:CCCCCCCCCCCC[CH](CC[P](O)(=O)OC)[CH](C(C)=O)C(=O)OC
InChi:InChI=1S/C21H41O6P/c1-5-6-7-8-9-10-11-12-13-14-15-19(16-17-28(24,25)27-4)20(18(2)22)21(23)26-3/h19-20H,5-17H2,1-4H3,(H,24,25)/t19-,20+/m1/s1
定義日:2017-07-09
最終更新日:2024-09-27
公開日:2018-01-24
識別子（ID）:methoxy-[(3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]pentadecyl]phosphinic acid
9T1
9T1
表記:5-acetamido-2,6-anhydro-3,5,9-trideoxy-3-fluoro-D-erythro-L-gluco-non-4-ulosonic acid
組成式:C11 H16 F N O7
SMILES:O=C(C)NC1C(=O)C(F)C(OC1C(C(C)O)O)C(=O)O
InChi:InChI=1S/C11H16FNO7/c1-3(14)7(16)10-6(13-4(2)15)8(17)5(12)9(20-10)11(18)19/h3,5-7,9-10,14,16H,1-2H3,(H,13,15)(H,18,19)/t3-,5-,6-,7-,9+,10-/m1/s1
別名:5-(acetylamino)-2,6-anhydro-3,5,9-trideoxy-3-fluoro-D-erythro-L-gluco-non-4-ulosonic acid
定義日:2017-06-07
最終更新日:2024-09-27
公開日:2018-02-21
識別子（ID）:5-(acetylamino)-2,6-anhydro-3,5,9-trideoxy-3-fluoro-D-erythro-L-gluco-non-4-ulosonic acid
3MY
3MY
表記:3-chloro-D-tyrosine
組成式:C9 H10 Cl N O3
SMILES:Clc1cc(ccc1O)CC(C(=O)O)N
InChi:InChI=1S/C9H10ClNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m1/s1
定義日:2009-03-27
最終更新日:2024-09-27
識別子（ID）:3-chloro-D-tyrosine
9TG
9TG
表記:3-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]benzoic acid
組成式:C15 H16 B N O5 S
SMILES:c2c(C(=O)O)cc(CC(B(O)O)NC(=O)Cc1cccs1)cc2
InChi:InChI=1S/C15H16BNO5S/c18-14(9-12-5-2-6-23-12)17-13(16(21)22)8-10-3-1-4-11(7-10)15(19)20/h1-7,13,21-22H,8-9H2,(H,17,18)(H,19,20)/t13-/m0/s1
別名:boronic acid transition state inhibitor EC04
定義日:2017-06-07
最終更新日:2024-09-27
公開日:2017-11-29
識別子（ID）:3-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]benzoic acid
9TJ
9TJ
表記:3-{1-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]-1H-1,2,3-triazol-4-yl}benzoic acid
組成式:C17 H17 B N4 O5 S
SMILES:C(B(O)O)(Cn2cc(c1cccc(c1)C(O)=O)nn2)NC(=O)Cc3sccc3
InChi:InChI=1S/C17H17BN4O5S/c23-16(8-13-5-2-6-28-13)19-15(18(26)27)10-22-9-14(20-21-22)11-3-1-4-12(7-11)17(24)25/h1-7,9,15,26-27H,8,10H2,(H,19,23)(H,24,25)/t15-/m0/s1
別名:boronic acid transition state inhibitor S03043
定義日:2017-06-07
最終更新日:2024-09-27
公開日:2017-11-29
識別子（ID）:3-{1-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]-1H-1,2,3-triazol-4-yl}benzoic acid
3NK
3NK
表記:1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE
組成式:C15 H14 O3
SMILES:COc1ccc2cc(ccc2c1)C(=O)CC(C)=O
InChi:InChI=1S/C15H14O3/c1-10(16)7-15(17)13-4-3-12-9-14(18-2)6-5-11(12)8-13/h3-6,8-9H,7H2,1-2H3
定義日:2011-09-23
最終更新日:2024-09-27
公開日:2012-11-02
識別子（ID）:1-(6-methoxynaphthalen-2-yl)butane-1,3-dione
3NP
3NP
表記:3-NITROPROPANOIC ACID
組成式:C3 H5 N O4
SMILES:[O-][N+](=O)CCC(=O)O
InChi:InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)
定義日:2005-02-09
最終更新日:2024-09-27
識別子（ID）:3-nitropropanoic acid
3NS
3NS
表記:(3S)-4-hydroxy-3-{[(2S)-4-{[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]amino}-2-(1-methylethyl)-4-oxobutanoyl]amino}butanoic acid
組成式:C21 H30 N4 O5
SMILES:O=C(O)CC(NC(=O)C(C(C)C)CC(=O)NCCn1c2ccccc2nc1C)CO
InChi:InChI=1S/C21H30N4O5/c1-13(2)16(21(30)24-15(12-26)10-20(28)29)11-19(27)22-8-9-25-14(3)23-17-6-4-5-7-18(17)25/h4-7,13,15-16,26H,8-12H2,1-3H3,(H,22,27)(H,24,30)(H,28,29)/t15-,16-/m0/s1
定義日:2010-07-06
最終更新日:2024-09-27
識別子（ID）:(3S)-4-hydroxy-3-{[(2S)-4-{[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]amino}-4-oxo-2-(propan-2-yl)butanoyl]amino}butanoic acid
3OH
3OH
表記:3-HYDROXY-PROPANOIC ACID
組成式:C3 H6 O3
SMILES:O=C(O)CCO
InChi:InChI=1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6)
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:3-hydroxypropanoic acid
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
3P7
3P7
表記:(2R)-2-[(1R)-1-{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3 -oxazine-4-carboxylic acid
組成式:C18 H18 N2 O9
SMILES:O=C(O)C(c1ccc(O)cc1)C(=O)NC(OC)(C=O)C2N=C(C(=C)CO2)C(=O)O
InChi:InChI=1S/C18H18N2O9/c1-9-7-29-17(19-13(9)16(26)27)18(8-21,28-2)20-14(23)12(15(24)25)10-3-5-11(22)6-4-10/h3-6,8,12,17,22H,1,7H2,2H3,(H,20,23)(H,24,25)(H,26,27)/t12-,17-,18+/m1/s1
別名:MOXALACTAM DERIVATIVE (open form)
定義日:2014-10-01
最終更新日:2024-09-27
公開日:2014-10-15
識別子（ID）:(2R)-2-[(1R)-1-{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid
3PA
3PA
表記:3-CYCLOPENTYL-PROPIONIC ACID
組成式:C8 H14 O2
SMILES:O=C(O)CCC1CCCC1
InChi:InChI=1S/C8H14O2/c9-8(10)6-5-7-3-1-2-4-7/h7H,1-6H2,(H,9,10)
定義日:2000-08-08
最終更新日:2024-09-27
識別子（ID）:3-cyclopentylpropanoic 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
3PK
3PK
表記:(2S)-1-(pentanoyloxy)propan-2-yl hexanoate
組成式:C14 H26 O4
SMILES:O=C(OC(C)COC(=O)CCCC)CCCCC
InChi:InChI=1S/C14H26O4/c1-4-6-8-10-14(16)18-12(3)11-17-13(15)9-7-5-2/h12H,4-11H2,1-3H3/t12-/m0/s1
定義日:2010-11-08
最終更新日:2024-09-27
公開日:2013-10-16
識別子（ID）:(2S)-1-(pentanoyloxy)propan-2-yl hexanoate
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
3PL
3PL
表記:3-PHENYLPROPANAL
組成式:C9 H10 O
SMILES:O=CCCc1ccccc1
InChi:InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2
定義日:2005-01-14
最終更新日:2024-09-27
識別子（ID）:3-phenylpropanal
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
3PX
3PX
表記:(3S)-3-(propan-2-yloxy)-L-proline
組成式:C8 H15 N O3
SMILES:O=C(O)C1NCCC1OC(C)C
InChi:InChI=1S/C8H15NO3/c1-5(2)12-6-3-4-9-7(6)8(10)11/h5-7,9H,3-4H2,1-2H3,(H,10,11)/t6-,7-/m0/s1
定義日:2011-04-26
最終更新日:2024-09-27
識別子（ID）:(3S)-3-(propan-2-yloxy)-L-proline
3PY
3PY
表記:3-HYDROXYPYRUVIC ACID
組成式:C3 H4 O4
SMILES:O=C(O)C(=O)CO
InChi:InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h4H,1H2,(H,6,7)
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:3-hydroxy-2-oxopropanoic acid

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