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OU0
OU0
表記:2-cyclopropylcarbonyl-3-propan-2-yl-1,2-oxazol-5-one
組成式:C10 H13 N O3
SMILES:CC(C)C1=CC(=O)ON1C(=O)C2CC2
InChi:InChI=1S/C10H13NO3/c1-6(2)8-5-9(12)14-11(8)10(13)7-3-4-7/h5-7H,3-4H2,1-2H3
定義日:2022-09-20
最終更新日:2024-09-27
公開日:2023-09-20
識別子（ID）:2-cyclopropylcarbonyl-3-propan-2-yl-1,2-oxazol-5-one
OUD
OUD
表記:(3~{S})-3-azanyl-4-(carboxyamino)butanoic acid
組成式:C5 H10 N2 O4
SMILES:N[CH](CNC(O)=O)CC(O)=O
InChi:InChI=1S/C5H10N2O4/c6-3(1-4(8)9)2-7-5(10)11/h3,7H,1-2,6H2,(H,8,9)(H,10,11)/t3-/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）:(3~{S})-3-azanyl-4-(carboxyamino)butanoic acid
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
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
OUR
OUR
表記:[azanyl-[[(4~{S})-4-azanyl-5-(carboxyamino)pentyl]amino]methylidene]azanium
組成式:C7 H18 N5 O2
SMILES:N[CH](CCCNC(N)=[NH2+])CNC(O)=O
InChi:InChI=1S/C7H17N5O2/c8-5(4-12-7(13)14)2-1-3-11-6(9)10/h5,12H,1-4,8H2,(H,13,14)(H4,9,10,11)/p+1/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）:[azanyl-[[(4~{S})-4-azanyl-5-(carboxyamino)pentyl]amino]methylidene]azanium
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
2XG
2XG
表記:3,4-difluorobenzenethiol
組成式:C6 H4 F2 S
SMILES:Fc1ccc(S)cc1F
InChi:InChI=1S/C6H4F2S/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
定義日:2014-04-04
最終更新日:2024-09-27
公開日:2014-09-10
識別子（ID）:3,4-difluorobenzenethiol
2XH
2XH
表記:naphthalene-1-thiol
組成式:C10 H8 S
SMILES:Sc2cccc1ccccc12
InChi:InChI=1S/C10H8S/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H
定義日:2014-04-07
最終更新日:2024-09-27
公開日:2014-09-10
識別子（ID）:naphthalene-1-thiol
2XI
2XI
表記:(2~{R})-~{N}-[(1~{R})-2-(~{tert}-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-~{N}-(4-~{tert}-butylphenyl)-2-oxidanyl-propanamide
組成式:C24 H33 N3 O3
SMILES:C[CH](O)C(=O)N([CH](C(=O)NC(C)(C)C)c1cccnc1)c2ccc(cc2)C(C)(C)C
InChi:InChI=1S/C24H33N3O3/c1-16(28)22(30)27(19-12-10-18(11-13-19)23(2,3)4)20(17-9-8-14-25-15-17)21(29)26-24(5,6)7/h8-16,20,28H,1-7H3,(H,26,29)/t16-,20-/m1/s1
定義日:2021-07-09
最終更新日:2024-09-27
公開日:2021-07-21
識別子（ID）:(2~{R})-~{N}-[(1~{R})-2-(~{tert}-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-~{N}-(4-~{tert}-butylphenyl)-2-oxidanyl-propanamide
OV1
OV1
表記:N-[(2S)-1-({(2S)-1-{[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]amino}-4-[(R)-methylsulfinyl]-1-oxobutan-2-yl}amino)-3-methyl-1-oxobutan-2-yl]hexanamide
組成式:C25 H49 N3 O6 S
SMILES:O=C(NC(C(=O)NC(CC(C)C)C(O)C(C)CO)CCS(=O)C)C(NC(=O)CCCCC)C(C)C
InChi:InChI=1S/C25H49N3O6S/c1-8-9-10-11-21(30)28-22(17(4)5)25(33)26-19(12-13-35(7)34)24(32)27-20(14-16(2)3)23(31)18(6)15-29/h16-20,22-23,29,31H,8-15H2,1-7H3,(H,26,33)(H,27,32)(H,28,30)/t18-,19+,20+,22+,23+,35-/m1/s1
別名:Carmaphycin A, bound form
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-[(2S)-1-({(2S)-1-{[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]amino}-4-[(R)-methylsulfinyl]-1-oxobutan-2-yl}amino)-3-methyl-1-oxobutan-2-yl]hexanamide
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
2XO
2XO
表記:1H-benzimidazol-2-ylmethanethiol
組成式:C8 H8 N2 S
SMILES:n2c1ccccc1nc2CS
InChi:InChI=1S/C8H8N2S/c11-5-8-9-6-3-1-2-4-7(6)10-8/h1-4,11H,5H2,(H,9,10)
定義日:2014-04-08
最終更新日:2024-09-27
公開日:2014-09-10
識別子（ID）:1H-benzimidazol-2-ylmethanethiol
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
2XR
2XR
表記:2-chloro-1-(1H-indol-3-yl)ethanone
組成式:C10 H8 Cl N O
SMILES:ClCC(=O)c2c1ccccc1nc2
InChi:InChI=1S/C10H8ClNO/c11-5-10(13)8-6-12-9-4-2-1-3-7(8)9/h1-4,6,12H,5H2
定義日:2014-04-08
最終更新日:2024-09-27
公開日:2014-09-10
識別子（ID）:2-chloro-1-(1H-indol-3-yl)ethanone
OV9
OV9
表記:2-azanyl-4-oxidanylidene-3~{H}-pteridine-7-carboxylic acid
組成式:C7 H5 N5 O3
SMILES:NC1=Nc2nc(cnc2C(=O)N1)C(O)=O
InChi:InChI=1S/C7H5N5O3/c8-7-11-4-3(5(13)12-7)9-1-2(10-4)6(14)15/h1H,(H,14,15)(H3,8,10,11,12,13)
定義日:2023-02-14
最終更新日:2024-09-27
公開日:2023-09-20
識別子（ID）:2-azanyl-4-oxidanylidene-3~{H}-pteridine-7-carboxylic acid
OVA
OVA
表記:3,4-DIHYDROXY-2-METHOXY-4-METHYL-3-[2-METHYL-3-(3-METHYL-BUT-2-ENYL) -OXIRANYL]-CYCLOHEXANONE
組成式:C16 H26 O5
SMILES:O=C2C(OC)C(O)(C1(OC1C/C=C(/C)C)C)C(O)(C)CC2
InChi:InChI=1S/C16H26O5/c1-10(2)6-7-12-15(4,21-12)16(19)13(20-5)11(17)8-9-14(16,3)18/h6,12-13,18-19H,7-9H2,1-5H3/t12-,13-,14-,15+,16-/m1/s1
別名:OVALICIN
定義日:1999-07-23
最終更新日:2024-09-27
識別子（ID）:(2S,3R,4R)-3,4-dihydroxy-2-methoxy-4-methyl-3-[(2S,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]cyclohexanone
2YD
2YD
表記:(5R,6R,7S,8R,9R,12S,13E,16S,18S,19R,20aR)-4,7,19-trihydroxy-2,6,8,12,14,16,18-heptamethyl-6,7,8,9,10,11,12,15,16,17,18,19,20,20a-tetradecahydro-1,19:5,9-diepoxybenzo[18]annulen-3(5H)-one
組成式:C29 H44 O6
SMILES:O=C1C(=C2OC3(O)C(CC(CC(=CC(C)CCC4OC(C(=C1O)C2C3)C(C)C(O)C4C)C)C)C)C
InChi:InChI=1S/C29H44O6/c1-14-8-9-22-18(5)24(30)19(6)28(34-22)23-21-13-29(33,17(4)12-16(3)11-15(2)10-14)35-27(21)20(7)25(31)26(23)32/h10,14,16-19,21-22,24,28,30,32-33H,8-9,11-13H2,1-7H3/b15-10+/t14-,16+,17-,18-,19+,21+,22+,24-,28+,29+/m0/s1
別名:Kendomycin
定義日:2014-05-01
最終更新日:2024-09-27
公開日:2014-07-30
識別子（ID）:(5R,6R,7S,8R,9R,12S,13E,16S,18S,19R,20aR)-4,7,19-trihydroxy-2,6,8,12,14,16,18-heptamethyl-6,7,8,9,10,11,12,15,16,17,18,19,20,20a-tetradecahydro-1,19:5,9-diepoxybenzo[18]annulen-3(5H)-one
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
2YI
2YI
表記:methyl 3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonyl-5-[(2-ethyl-2-methanoyl-butanoyl)amino]benzoate
組成式:C27 H32 Br N3 O5
SMILES:CCC(CC)(C=O)C(=O)Nc1cc(cc(c1)C(=O)N2CCN(CC2)Cc3ccc(Br)cc3)C(=O)OC
InChi:InChI=1S/C27H32BrN3O5/c1-4-27(5-2,18-32)26(35)29-23-15-20(14-21(16-23)25(34)36-3)24(33)31-12-10-30(11-13-31)17-19-6-8-22(28)9-7-19/h6-9,14-16,18H,4-5,10-13,17H2,1-3H3,(H,29,35)
定義日:2021-06-23
最終更新日:2024-09-27
公開日:2021-07-07
識別子（ID）:methyl 3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonyl-5-[(2-ethyl-2-methanoyl-butanoyl)amino]benzoate
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
2YR
2YR
表記:2'-deoxy-N-(2-sulfanylethyl)cytidine 5'-(dihydrogen phosphate)
組成式:C11 H18 N3 O7 P S
SMILES:O=P(O)(O)OCC2OC(N1C(=O)N=C(NCCS)C=C1)CC2O
InChi:InChI=1S/C11H18N3O7PS/c15-7-5-10(21-8(7)6-20-22(17,18)19)14-3-1-9(12-2-4-23)13-11(14)16/h1,3,7-8,10,15,23H,2,4-6H2,(H,12,13,16)(H2,17,18,19)/t7-,8+,10+/m0/s1
定義日:2014-04-28
最終更新日:2024-09-27
公開日:2014-05-21
識別子（ID）:2'-deoxy-N-(2-sulfanylethyl)cytidine 5'-(dihydrogen phosphate)

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