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OUE
OUE
表記:(4~{S})-4-azanyl-5-(carboxyamino)pentanoic acid
組成式:C6 H12 N2 O4
SMILES:N[CH](CCC(O)=O)CNC(O)=O
InChi:InChI=1S/C6H12N2O4/c7-4(1-2-5(9)10)3-8-6(11)12/h4,8H,1-3,7H2,(H,9,10)(H,11,12)/t4-/m0/s1
定義日:2017-02-10
最終更新日:2024-09-27
公開日:2017-04-12
識別子（ID）:(4~{S})-4-azanyl-5-(carboxyamino)pentanoic acid
OUH
OUH
表記:[(2~{S})-2-azanyl-3-(1~{H}-imidazol-5-yl)propyl]carbamic acid
組成式:C7 H12 N4 O2
SMILES:N[CH](CNC(O)=O)Cc1[nH]cnc1
InChi:InChI=1S/C7H12N4O2/c8-5(2-10-7(12)13)1-6-3-9-4-11-6/h3-5,10H,1-2,8H2,(H,9,11)(H,12,13)/t5-/m0/s1
定義日:2017-02-10
最終更新日:2024-09-27
公開日:2017-04-12
識別子（ID）:[(2~{S})-2-azanyl-3-(1~{H}-imidazol-5-yl)propyl]carbamic acid
4KZ
4KZ
表記:N-[(1R)-1-(dihydroxyboranyl)-2-phenylethyl]-Nalpha-(pyrazin-2-ylcarbonyl)-L-phenylalaninamide
組成式:C22 H23 B N4 O4
SMILES:c3(C(=O)NC(C(=O)NC(Cc1ccccc1)B(O)O)Cc2ccccc2)cnccn3
InChi:InChI=1S/C22H23BN4O4/c28-21(27-20(23(30)31)14-17-9-5-2-6-10-17)18(13-16-7-3-1-4-8-16)26-22(29)19-15-24-11-12-25-19/h1-12,15,18,20,30-31H,13-14H2,(H,26,29)(H,27,28)/t18-,20-/m0/s1
定義日:2015-04-02
最終更新日:2024-09-27
公開日:2016-03-16
識別子（ID）:N-[(1R)-1-(dihydroxyboranyl)-2-phenylethyl]-Nalpha-(pyrazin-2-ylcarbonyl)-L-phenylalaninamide
OUI
OUI
表記:[(2~{S},3~{S})-2-azanyl-3-methyl-pentyl]carbamic acid
組成式:C7 H16 N2 O2
SMILES:CC[CH](C)[CH](N)CNC(O)=O
InChi:InChI=1S/C7H16N2O2/c1-3-5(2)6(8)4-9-7(10)11/h5-6,9H,3-4,8H2,1-2H3,(H,10,11)/t5-,6+/m0/s1
定義日:2017-02-10
最終更新日:2024-09-27
公開日:2017-04-12
識別子（ID）:[(2~{S},3~{S})-2-azanyl-3-methyl-pentyl]carbamic acid
OUK
OUK
表記:[(5~{S})-5-azanyl-6-(carboxyamino)hexyl]azanium
組成式:C7 H18 N3 O2
SMILES:N[CH](CCCC[NH3+])CNC(O)=O
InChi:InChI=1S/C7H17N3O2/c8-4-2-1-3-6(9)5-10-7(11)12/h6,10H,1-5,8-9H2,(H,11,12)/p+1/t6-/m0/s1
定義日:2017-02-10
最終更新日:2024-09-27
公開日:2017-04-12
識別子（ID）:[(5~{S})-5-azanyl-6-(carboxyamino)hexyl]azanium
OUL
OUL
表記:4-(4-aminocarbonylphenoxy)benzamide
組成式:C14 H12 N2 O3
SMILES:NC(=O)c1ccc(Oc2ccc(cc2)C(N)=O)cc1
InChi:InChI=1S/C14H12N2O3/c15-13(17)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(16)18/h1-8H,(H2,15,17)(H2,16,18)
別名:OUL35
定義日:2017-09-25
最終更新日:2024-09-27
公開日:2018-07-25
識別子（ID）:4-(4-aminocarbonylphenoxy)benzamide
4L8
4L8
表記:(2R)-2-(aminomethyl)-4-methylpentanoic acid
組成式:C7 H15 N O2
SMILES:C(C(CN)C(O)=O)C(C)C
InChi:InChI=1S/C7H15NO2/c1-5(2)3-6(4-8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m1/s1
定義日:2015-04-08
最終更新日:2024-09-27
公開日:2015-08-26
識別子（ID）:(2R)-2-(aminomethyl)-4-methylpentanoic acid
OUU
OUU
表記:(1~{S},2~{R},3~{R},4~{S},6~{S})-2-(2-acetamidoethoxy)-3,4,6-tris(oxidanyl)cyclohexane-1-carboxylic acid
組成式:C11 H19 N O7
SMILES:CC(=O)NCCO[CH]1[CH](O)[CH](O)C[CH](O)[CH]1C(O)=O
InChi:InChI=1S/C11H19NO7/c1-5(13)12-2-3-19-10-8(11(17)18)6(14)4-7(15)9(10)16/h6-10,14-16H,2-4H2,1H3,(H,12,13)(H,17,18)/t6-,7-,8-,9+,10+/m0/s1
定義日:2022-09-21
最終更新日:2024-09-27
公開日:2022-12-28
識別子（ID）:(1~{S},2~{R},3~{R},4~{S},6~{S})-2-(2-acetamidoethoxy)-3,4,6-tris(oxidanyl)cyclohexane-1-carboxylic acid
4LF
4LF
表記:N-[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethyl]-2,3-bis(oxidanyl)benzamide
組成式:C13 H12 N2 O5
SMILES:Oc1cccc(C(=O)NCCN2C(=O)C=CC2=O)c1O
InChi:InChI=1S/C13H12N2O5/c16-9-3-1-2-8(12(9)19)13(20)14-6-7-15-10(17)4-5-11(15)18/h1-5,16,19H,6-7H2,(H,14,20)
定義日:2015-08-06
最終更新日:2024-09-27
公開日:2015-11-18
識別子（ID）:N-[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethyl]-2,3-bis(oxidanyl)benzamide
4LH
4LH
表記:N-(3-{[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]methyl}phenyl)prop-2-enamide
組成式:C26 H30 Cl N7 O2
SMILES:c3(Nc1c(OC)cc(cc1)N2CCN(C)CC2)ncc(c(n3)NCc4cc(NC(/C=C)=O)ccc4)Cl
InChi:InChI=1S/C26H30ClN7O2/c1-4-24(35)30-19-7-5-6-18(14-19)16-28-25-21(27)17-29-26(32-25)31-22-9-8-20(15-23(22)36-3)34-12-10-33(2)11-13-34/h4-9,14-15,17H,1,10-13,16H2,2-3H3,(H,30,35)(H2,28,29,31,32)
定義日:2015-04-10
最終更新日:2024-09-27
公開日:2016-02-10
識別子（ID）:N-(3-{[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]methyl}phenyl)prop-2-enamide
OV2
OV2
表記:N-hexanoyl-L-valyl-N~1~-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide
組成式:C27 H52 N4 O6
SMILES:O=C(NC(C(O)C(CO)C)CC(C)C)C(NC(=O)C(NC(=O)CCCCC)C(C)C)CCC(=O)N(C)C
InChi:InChI=1S/C27H52N4O6/c1-9-10-11-12-22(33)30-24(18(4)5)27(37)28-20(13-14-23(34)31(7)8)26(36)29-21(15-17(2)3)25(35)19(6)16-32/h17-21,24-25,32,35H,9-16H2,1-8H3,(H,28,37)(H,29,36)(H,30,33)/t19-,20+,21+,24+,25+/m1/s1
別名:Carmaphycin A analogue, bound from
定義日:2012-12-10
最終更新日:2024-09-27
公開日:2014-01-29
識別子（ID）:N-hexanoyl-L-valyl-N~1~-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide
OV3
OV3
表記:(1~{S},2~{R},3~{R},4~{S},6~{S})-3,4,6-tris(oxidanyl)-2-[2-[2,2,2-tris(fluoranyl)ethanoylamino]ethoxy]cyclohexane-1-carboxylic acid
組成式:C11 H16 F3 N O7
SMILES:O[CH]1C[CH](O)[CH]([CH](OCCNC(=O)C(F)(F)F)[CH]1O)C(O)=O
InChi:InChI=1S/C11H16F3NO7/c12-11(13,14)10(21)15-1-2-22-8-6(9(19)20)4(16)3-5(17)7(8)18/h4-8,16-18H,1-3H2,(H,15,21)(H,19,20)/t4-,5-,6-,7+,8+/m0/s1
定義日:2022-09-21
最終更新日:2024-09-27
公開日:2022-12-28
識別子（ID）:(1~{S},2~{R},3~{R},4~{S},6~{S})-3,4,6-tris(oxidanyl)-2-[2-[2,2,2-tris(fluoranyl)ethanoylamino]ethoxy]cyclohexane-1-carboxylic acid
4LJ
4LJ
表記:1.7.6 3-bromanylpropan-1-amine
組成式:C3 H8 Br N
SMILES:NCCCBr
InChi:InChI=1S/C3H8BrN/c4-2-1-3-5/h1-3,5H2
定義日:2015-04-10
最終更新日:2024-09-27
公開日:2015-09-16
識別子（ID）:3-bromanylpropan-1-amine
OV7
OV7
表記:(2R)-amino[(carboxymethyl)sulfanyl]acetic acid
組成式:C4 H7 N O4 S
SMILES:NC(C(O)=O)SCC(O)=O
InChi:InChI=1S/C4H7NO4S/c5-3(4(8)9)10-1-2(6)7/h3H,1,5H2,(H,6,7)(H,8,9)/t3-/m1/s1
定義日:2019-07-08
最終更新日:2024-09-27
公開日:2019-08-07
識別子（ID）:(2R)-amino[(carboxymethyl)sulfanyl]acetic acid
4LT
4LT
表記:(2R)-2-fluoropropanoic acid
組成式:C3 H5 F O2
SMILES:C(C(C)F)(O)=O
InChi:InChI=1S/C3H5FO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/t2-/m1/s1
定義日:2015-12-29
最終更新日:2024-09-27
公開日:2016-11-02
識別子（ID）:(2R)-2-fluoropropanoic acid
4LZ
4LZ
表記:O-[2-(triaza-1,2-dien-2-ium-1-yl)ethyl]-L-tyrosine
組成式:C11 H15 N4 O3
SMILES:C(C(N)Cc1ccc(OCCN=[N+]=N)cc1)(=O)O
InChi:InChI=1S/C11H14N4O3/c12-10(11(16)17)7-8-1-3-9(4-2-8)18-6-5-14-15-13/h1-4,10,13H,5-7,12H2/p+1/t10-/m0/s1
定義日:2015-04-14
最終更新日:2024-09-27
公開日:2015-05-06
識別子（ID）:O-[2-(triaza-1,2-dien-2-ium-1-yl)ethyl]-L-tyrosine
4M5
4M5
表記:(4~{Z},7~{Z},10~{Z},13~{Z},19~{Z})-17-oxidanylidenedocosa-4,7,10,13,19-pentaenoic acid
組成式:C22 H32 O3
SMILES:CCC=CCC(=O)CCC=CCC=CCC=CCC=CCCC(O)=O
InChi:InChI=1S/C22H32O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h3,5-8,11-15H,2,4,9-10,16-20H2,1H3,(H,24,25)/b7-5-,8-6-,13-11-,14-12-,15-3-
定義日:2015-10-27
最終更新日:2024-09-27
公開日:2016-07-06
識別子（ID）:(4~{Z},7~{Z},10~{Z},13~{Z},19~{Z})-17-oxidanylidenedocosa-4,7,10,13,19-pentaenoic acid
4M8
4M8
表記:(2S)-2-amino-4-[(S)-hydroxy(methoxy)phosphoryl]butanoic acid
組成式:C5 H12 N O5 P
SMILES:O=P(CCC(C(O)=O)N)(O)OC
InChi:InChI=1S/C5H12NO5P/c1-11-12(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1
定義日:2015-04-15
最終更新日:2024-09-27
公開日:2015-06-03
識別子（ID）:(2S)-2-amino-4-[(S)-hydroxy(methoxy)phosphoryl]butanoic acid
4M9
4M9
表記:(4Z)-4-imino-4-[(4Z)-4-(1H-indol-3-ylmethylidene)-5-oxo-1-(2-oxoethyl)-4,5-dihydro-1H-imidazol-2-yl]butanamide
組成式:C18 H17 N5 O4
SMILES:O=C1/C(N=C(N1CC=O)/C(CCC(=O)N)=N)=C/c2cnc3ccccc23
InChi:InChI=1S/C18H17N5O4/c19-12(5-6-15(20)24)17-22-14(18(27)23(17)9-16(25)26)7-10-8-21-13-4-2-1-3-11(10)13/h1-4,7-8,19,21H,5-6,9H2,(H2,20,24)(H,25,26)/b14-7-,19-12+
別名:CHROMOPHORE (GLN-TRP-GLY)
定義日:2015-04-15
最終更新日:2024-09-27
公開日:2015-12-23
識別子（ID）:(4Z)-4-imino-4-[(4Z)-4-(1H-indol-3-ylmethylidene)-5-oxo-1-(2-oxoethyl)-4,5-dihydro-1H-imidazol-2-yl]butanamide
OVV
OVV
表記:3-methylbenzoic acid
組成式:C8 H8 O2
SMILES:Cc1cccc(c1)C(O)=O
InChi:InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)
定義日:2019-07-10
最終更新日:2024-09-27
公開日:2019-11-27
識別子（ID）:3-methylbenzoic acid
OW1
OW1
表記:Nirmatrelvir (reacted form)
組成式:C24 H35 F3 N4 O4
SMILES:CC(C)(C)[CH](NC(=O)C(F)(F)F)C(=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](C[CH]3CCNC3=O)C=C)C2(C)C
InChi:InChI=1S/C24H35F3N4O4/c1-7-13(10-12-8-9-28-18(12)32)29-19(33)16-15-14(23(15,5)6)11-31(16)20(34)17(22(2,3)4)30-21(35)24(25,26)27/h7,12-17H,1,8-11H2,2-6H3,(H,28,32)(H,29,33)(H,30,35)/t12-,13+,14-,15-,16-,17+/m0/s1
別名:(1~{R},2~{S},5~{S})-3-[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]-6,6-dimethyl-~{N}-[(2~{S})-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]but-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
定義日:2022-09-22
最終更新日:2024-09-27
公開日:2023-02-22
識別子（ID）:(1~{R},2~{S},5~{S})-3-[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]-6,6-dimethyl-~{N}-[(2~{S})-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]but-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
4MM
4MM
表記:N,N,N-trimethylmethionine
組成式:C8 H18 N O2 S
SMILES:CSCCC([N+](C)(C)C)C(=O)O
InChi:InChI=1S/C8H17NO2S/c1-9(2,3)7(8(10)11)5-6-12-4/h7H,5-6H2,1-4H3/p+1/t7-/m0/s1
別名:(1S)-1-carboxy-N,N,N-trimethyl-3-(methylsulfanyl)propan-1-aminium
定義日:2011-06-04
最終更新日:2024-09-27
識別子（ID）:(1S)-1-carboxy-N,N,N-trimethyl-3-(methylsulfanyl)propan-1-aminium
OW9
OW9
表記:1-(3-methylphenyl)carbonylpyrrolo[3,2-c]pyridine-3-carbonitrile
組成式:C16 H11 N3 O
SMILES:Cc1cccc(c1)C(=O)n2cc(C#N)c3cnccc23
InChi:InChI=1S/C16H11N3O/c1-11-3-2-4-12(7-11)16(20)19-10-13(8-17)14-9-18-6-5-15(14)19/h2-7,9-10H,1H3
定義日:2022-09-22
最終更新日:2024-09-27
公開日:2023-09-20
識別子（ID）:1-(3-methylphenyl)carbonylpyrrolo[3,2-c]pyridine-3-carbonitrile
OWF
OWF
表記:(3S)-3-hydroxy-D-asparagine
組成式:C4 H8 N2 O4
SMILES:NC(=O)C(O)C(N)C(O)=O
InChi:InChI=1S/C4H8N2O4/c5-1(4(9)10)2(7)3(6)8/h1-2,7H,5H2,(H2,6,8)(H,9,10)/t1-,2+/m1/s1
定義日:2022-05-18
最終更新日:2024-09-27
公開日:2023-01-11
識別子（ID）:(3S)-3-hydroxy-D-asparagine
4MT
4MT
表記:N-[2-(4-hydroxyphenyl)ethyl]thioformamide
組成式:C9 H11 N O S
SMILES:S=CNCCc1ccc(O)cc1
InChi:InChI=1S/C9H11NOS/c11-9-3-1-8(2-4-9)5-6-10-7-12/h1-4,7,11H,5-6H2,(H,10,12)
別名:N-(4-hydroxyphenethyl)methanethioamide
定義日:2014-02-17
最終更新日:2024-09-27
公開日:2014-03-12
識別子（ID）:N-[2-(4-hydroxyphenyl)ethyl]thioformamide

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