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2ZC
2ZC
表記:O-{[4-(2-aminoethyl)phenyl]sulfonyl}-L-serine
組成式:C11 H16 N2 O5 S
SMILES:O=C(O)C(N)COS(=O)(=O)c1ccc(cc1)CCN
InChi:InChI=1S/C11H16N2O5S/c12-6-5-8-1-3-9(4-2-8)19(16,17)18-7-10(13)11(14)15/h1-4,10H,5-7,12-13H2,(H,14,15)/t10-/m0/s1
定義日:2014-05-01
最終更新日:2024-09-27
公開日:2014-05-14
識別子（ID）:O-{[4-(2-aminoethyl)phenyl]sulfonyl}-L-serine
2ZF
2ZF
表記:N-(tert-butoxycarbonyl)-L-alpha-glutamyl-N-[(1R)-1-(carboxycarbonyl)-3,3-difluoropropyl]-L-leucinamide
組成式:C21 H33 F2 N3 O9
SMILES:O=C(OC(C)(C)C)NC(C(=O)NC(C(=O)NC(C(=O)C(=O)O)CC(F)F)CC(C)C)CCC(=O)O
InChi:InChI=1S/C21H33F2N3O9/c1-10(2)8-13(18(31)24-12(9-14(22)23)16(29)19(32)33)25-17(30)11(6-7-15(27)28)26-20(34)35-21(3,4)5/h10-14H,6-9H2,1-5H3,(H,24,31)(H,25,30)(H,26,34)(H,27,28)(H,32,33)/t11-,12-,13-/m0/s1
定義日:2008-12-12
最終更新日:2024-09-27
識別子（ID）:N-(tert-butoxycarbonyl)-L-alpha-glutamyl-N-[(1R)-1-(carboxycarbonyl)-3,3-difluoropropyl]-L-leucinamide
JQG
JQG
表記:(2~{R})-~{N}-[3-[2-[[(2~{S})-2-formamido-3-methyl-butanoyl]amino]ethylamino]-3-oxidanylidene-propyl]-3,3-dimethyl-2-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-butanamide
組成式:C17 H32 N4 O9 P
SMILES:CC(C)[CH](NC=O)C(=O)NCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)=O
InChi:InChI=1S/C17H32N4O9P/c1-11(2)13(21-10-22)15(25)20-8-7-18-12(23)5-6-19-16(26)14(24)17(3,4)9-30-31(27,28)29/h10-11,13-14,24H,5-9H2,1-4H3,(H,18,23)(H,19,26)(H,20,25)(H,21,22)(H,27,28,29)/t13-,14-/m0/s1
定義日:2018-09-13
最終更新日:2024-09-27
公開日:2019-11-20
識別子（ID）:(2~{R})-~{N}-[3-[2-[[(2~{S})-2-formamido-3-methyl-butanoyl]amino]ethylamino]-3-oxidanylidene-propyl]-3,3-dimethyl-2-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-butanamide
JQI
JQI
表記:[(1R)-1-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[2-[3-(4-carbamimidamido-3-oxidanylidene-pentyl)phenyl]ethanoylamino]hexanoyl]amino]hexanoyl]amino]-3-methyl-butyl]boronic acid
組成式:C31 H55 B N8 O6
SMILES:CC(C)C[CH](NC(=O)[CH](CCCCN)NC(=O)[CH](CCCCN)NC(=O)Cc1cccc(CCC(=O)C(C)NC(N)=N)c1)B(O)O
InChi:InChI=1S/C31H55BN8O6/c1-20(2)17-27(32(45)46)40-30(44)25(12-5-7-16-34)39-29(43)24(11-4-6-15-33)38-28(42)19-23-10-8-9-22(18-23)13-14-26(41)21(3)37-31(35)36/h8-10,18,20-21,24-25,27,45-46H,4-7,11-17,19,33-34H2,1-3H3,(H,38,42)(H,39,43)(H,40,44)(H4,35,36,37)/t21?,24-,25-,27-/m0/s1
別名:(2R,3S,4R,5R,6R)-6-((1R,2R,3S,4R,6S)-4,6-DIAMINO-2,3-DIHYDROXYCYCLOHEXYLOXY)-5-AMINO-2-(AMINOMETHYL)-TETRAHYDRO-2H-PYRA N-3,4-DIOL
定義日:2022-05-06
最終更新日:2024-09-27
公開日:2022-06-22
識別子（ID）:[(1~{R})-1-[[(2~{S})-6-azanyl-2-[[(2~{S})-6-azanyl-2-[2-[3-(4-carbamimidamido-3-oxidanylidene-pentyl)phenyl]ethanoylamino]hexanoyl]amino]hexanoyl]amino]-3-methyl-butyl]boronic acid
300
300
表記:2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE
組成式:C8 H9 O6 P
SMILES:O=Cc1cccc(OC)c1OP(=O)(O)O
InChi:InChI=1S/C8H9O6P/c1-13-7-4-2-3-6(5-9)8(7)14-15(10,11)12/h2-5H,1H3,(H2,10,11,12)
別名:RU78300
定義日:2003-06-20
最終更新日:2024-09-27
識別子（ID）:2-formyl-6-methoxyphenyl dihydrogen phosphate
JQO
JQO
表記:(2S)-2-[(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]butanamide
組成式:C17 H27 F N2 O4 S
SMILES:CC(C)C[CH](CO)NC(=O)[CH](N[S](=O)(=O)c1ccc(F)cc1)C(C)C
InChi:InChI=1S/C17H27FN2O4S/c1-11(2)9-14(10-21)19-17(22)16(12(3)4)20-25(23,24)15-7-5-13(18)6-8-15/h5-8,11-12,14,16,20-21H,9-10H2,1-4H3,(H,19,22)/t14-,16-/m0/s1
定義日:2022-05-07
最終更新日:2024-09-27
公開日:2023-05-17
識別子（ID）:(2~{S})-2-[(4-fluorophenyl)sulfonylamino]-3-methyl-~{N}-[(2~{S})-4-methyl-1-oxidanyl-pentan-2-yl]butanamide
30F
30F
表記:(2Z)-2-amino-3-selanylprop-2-enoic acid
組成式:C3 H5 N O2 Se
SMILES:O=C(O)/C(N)=C/[SeH]
InChi:InChI=1S/C3H5NO2Se/c4-2(1-7)3(5)6/h1,7H,4H2,(H,5,6)/b2-1-
定義日:2014-05-06
最終更新日:2024-09-27
公開日:2015-03-04
識別子（ID）:(2Z)-2-amino-3-selanylprop-2-enoic acid
JR7
JR7
表記:N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]propanamide
組成式:C12 H11 Cl N2 O S
SMILES:C(C)C(=O)Nc1scc(n1)c2ccc(Cl)cc2
InChi:InChI=1S/C12H11ClN2OS/c1-2-11(16)15-12-14-10(7-17-12)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3,(H,14,15,16)
定義日:2018-09-18
最終更新日:2024-09-27
公開日:2019-02-20
識別子（ID）:N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]propanamide
30S
30S
表記:2-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid
組成式:C15 H14 N4 O4 S
SMILES:O=S(=O)(O)c1ccccc1COc3c2c(nc(nc2N)N)ccc3
InChi:InChI=1S/C15H14N4O4S/c16-14-13-10(18-15(17)19-14)5-3-6-11(13)23-8-9-4-1-2-7-12(9)24(20,21)22/h1-7H,8H2,(H,20,21,22)(H4,16,17,18,19)
定義日:2014-05-14
最終更新日:2024-09-27
公開日:2015-05-13
識別子（ID）:2-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid
30U
30U
表記:4-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid
組成式:C15 H14 N4 O4 S
SMILES:O=S(=O)(O)c1ccc(cc1)COc3c2c(nc(nc2N)N)ccc3
InChi:InChI=1S/C15H14N4O4S/c16-14-13-11(18-15(17)19-14)2-1-3-12(13)23-8-9-4-6-10(7-5-9)24(20,21)22/h1-7H,8H2,(H,20,21,22)(H4,16,17,18,19)
定義日:2014-05-15
最終更新日:2024-09-27
公開日:2015-05-20
識別子（ID）:4-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid
JRA
JRA
表記:3-[2-[(~{Z})-[5-[(~{Z})-[(3~{S},4~{R})-3-ethenyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{Z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid
組成式:C33 H36 N4 O6
SMILES:C[CH]1[CH](C=C)C(NC1=O)=CC2=NC(=Cc3[nH]c(C=C4NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)C(=C2C)CCC(O)=O
InChi:InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,19-20,34H,1-2,9-12H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,29-15-/t19-,20+/m1/s1
定義日:2018-09-18
最終更新日:2024-09-27
公開日:2018-12-19
識別子（ID）:3-[2-[(~{Z})-[5-[(~{Z})-[(3~{S},4~{R})-3-ethenyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{Z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid
30V
30V
表記:S-[(2-carbamoylphenyl)selanyl]-L-cysteine
組成式:C10 H12 N2 O3 S Se
SMILES:O=C(O)C(N)CS[Se]c1ccccc1C(=O)N
InChi:InChI=1S/C10H12N2O3SSe/c11-7(10(14)15)5-16-17-8-4-2-1-3-6(8)9(12)13/h1-4,7H,5,11H2,(H2,12,13)(H,14,15)/t7-/m0/s1
定義日:2014-05-15
最終更新日:2024-09-27
公開日:2014-07-08
識別子（ID）:S-[(2-carbamoylphenyl)selanyl]-L-cysteine
30W
30W
表記:N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide
組成式:C9 H7 N5 O3
SMILES:O=C(NC2=Nc1ncc(nc1C(=O)N2)C=O)C
InChi:InChI=1S/C9H7N5O3/c1-4(16)11-9-13-7-6(8(17)14-9)12-5(3-15)2-10-7/h2-3H,1H3,(H2,10,11,13,14,16,17)
別名:Acetyl 6-formylpterin
定義日:2014-05-16
最終更新日:2024-09-27
公開日:2014-07-02
識別子（ID）:N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide
JRD
JRD
表記:N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
組成式:C17 H17 N3 O2 S
SMILES:O=C(N(c2scc(c1ccccc1)n2)Cc3onc(C)c3)CC
InChi:InChI=1S/C17H17N3O2S/c1-3-16(21)20(10-14-9-12(2)19-22-14)17-18-15(11-23-17)13-7-5-4-6-8-13/h4-9,11H,3,10H2,1-2H3
定義日:2018-09-18
最終更新日:2024-09-27
公開日:2019-02-20
識別子（ID）:N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
JRM
JRM
表記:methyl N-(4-phenyl-1,3-thiazol-2-yl)-N-propanoylglycinate
組成式:C15 H16 N2 O3 S
SMILES:n1c(N(CC(=O)OC)C(CC)=O)scc1c2ccccc2
InChi:InChI=1S/C15H16N2O3S/c1-3-13(18)17(9-14(19)20-2)15-16-12(10-21-15)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
定義日:2018-09-18
最終更新日:2024-09-27
公開日:2019-02-20
識別子（ID）:methyl N-(4-phenyl-1,3-thiazol-2-yl)-N-propanoylglycinate
31G
31G
表記:3-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid
組成式:C15 H14 N4 O4 S
SMILES:O=S(=O)(O)c1cccc(c1)COc3c2c(nc(nc2N)N)ccc3
InChi:InChI=1S/C15H14N4O4S/c16-14-13-11(18-15(17)19-14)5-2-6-12(13)23-8-9-3-1-4-10(7-9)24(20,21)22/h1-7H,8H2,(H,20,21,22)(H4,16,17,18,19)
定義日:2014-05-16
最終更新日:2024-09-27
公開日:2015-05-20
識別子（ID）:3-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid
31J
31J
表記:7-hydroxy-6-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4,8-dimethyl-2H-chromen-2-one
組成式:C17 H22 O6
SMILES:O=C2Oc1c(c(O)c(OC)cc1C(=C2CCOCCOC)C)C
InChi:InChI=1S/C17H22O6/c1-10-12(5-6-22-8-7-20-3)17(19)23-16-11(2)15(18)14(21-4)9-13(10)16/h9,18H,5-8H2,1-4H3
定義日:2014-05-19
最終更新日:2024-09-27
公開日:2014-09-03
識別子（ID）:7-hydroxy-6-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4,8-dimethyl-2H-chromen-2-one
JRY
JRY
表記:hexylcarbamic acid
組成式:C7 H15 N O2
SMILES:C(=O)(NCCCCCC)O
InChi:InChI=1S/C7H15NO2/c1-2-3-4-5-6-8-7(9)10/h8H,2-6H2,1H3,(H,9,10)
定義日:2018-09-19
最終更新日:2024-09-27
公開日:2019-01-23
識別子（ID）:hexylcarbamic acid
31K
31K
表記:2-methoxy-6-methyl-4-(4-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)phenol
組成式:C17 H19 N O3
SMILES:Oc3c(cc(c2ccc1c(OCCN1C)c2)cc3OC)C
InChi:InChI=1S/C17H19NO3/c1-11-8-13(10-16(20-3)17(11)19)12-4-5-14-15(9-12)21-7-6-18(14)2/h4-5,8-10,19H,6-7H2,1-3H3
定義日:2014-05-19
最終更新日:2024-09-27
公開日:2014-09-03
識別子（ID）:2-methoxy-6-methyl-4-(4-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)phenol
JS0
JS0
表記:[8-[3-(4-prop-2-ynylpiperazin-1-yl)propoxy]quinolin-2-yl]methanol
組成式:C20 H25 N3 O2
SMILES:OCc1ccc2cccc(OCCCN3CCN(CC3)CC#C)c2n1
InChi:InChI=1S/C20H25N3O2/c1-2-9-22-11-13-23(14-12-22)10-4-15-25-19-6-3-5-17-7-8-18(16-24)21-20(17)19/h1,3,5-8,24H,4,9-16H2
別名:8-(3-(4-(prop-2-yn-1-yl)piperazin-1-yl)propoxy)quinoline-2-carbaldehyde
定義日:2022-05-09
最終更新日:2024-09-27
公開日:2023-02-01
識別子（ID）:[8-[3-(4-prop-2-ynylpiperazin-1-yl)propoxy]quinolin-2-yl]methanol
31L
31L
表記:3-methoxy-5-methyl-4'-(morpholin-4-yl)biphenyl-4-ol
組成式:C18 H21 N O3
SMILES:Oc1c(cc(cc1OC)c3ccc(N2CCOCC2)cc3)C
InChi:InChI=1S/C18H21NO3/c1-13-11-15(12-17(21-2)18(13)20)14-3-5-16(6-4-14)19-7-9-22-10-8-19/h3-6,11-12,20H,7-10H2,1-2H3
定義日:2014-05-19
最終更新日:2024-09-27
公開日:2014-09-03
識別子（ID）:3-methoxy-5-methyl-4'-(morpholin-4-yl)biphenyl-4-ol
31Q
31Q
表記:(4-carboxyphenyl)(L-cysteinato-kappaS~3~)mercury
組成式:C10 H11 Hg N O4 S
SMILES:O=C(O)C(N)CS[Hg]c1ccc(C(=O)O)cc1
InChi:InChI=1S/C7H5O2.C3H7NO2S.Hg/c8-7(9)6-4-2-1-3-5-6
定義日:2014-05-22
最終更新日:2024-09-27
公開日:2014-07-08
識別子（ID）:(4-carboxyphenyl)(L-cysteinato-kappaS~3~)mercury
JSO
JSO
表記:2-azanyl-6-methyl-3~{H}-pteridin-4-one
組成式:C7 H7 N5 O
SMILES:Cc1cnc2N=C(N)NC(=O)c2n1
InChi:InChI=1S/C7H7N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h2H,1H3,(H3,8,9,11,12,13)
定義日:2022-05-09
最終更新日:2024-09-27
公開日:2023-06-28
識別子（ID）:2-azanyl-6-methyl-3~{H}-pteridin-4-one
JT0
JT0
表記:2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide
組成式:C16 H19 Cl N2 O3 S
SMILES:C(=O)(CCl)N(CCCOC)c2scc(c1ccc(cc1)OC)n2
InChi:InChI=1S/C16H19ClN2O3S/c1-21-9-3-8-19(15(20)10-17)16-18-14(11-23-16)12-4-6-13(22-2)7-5-12/h4-7,11H,3,8-10H2,1-2H3
定義日:2019-07-10
最終更新日:2024-09-27
公開日:2020-01-08
識別子（ID）:2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide
32L
32L
表記:ethyl (3S,4S)-4-amino-3-hydroxy-6-methylheptanoate
組成式:C10 H21 N O3
SMILES:O=C(OCC)CC(O)C(N)CC(C)C
InChi:InChI=1S/C10H21NO3/c1-4-14-10(13)6-9(12)8(11)5-7(2)3/h7-9,12H,4-6,11H2,1-3H3/t8-,9-/m0/s1
定義日:2014-05-27
最終更新日:2024-09-27
公開日:2014-06-04
識別子（ID）:ethyl (3S,4S)-4-amino-3-hydroxy-6-methylheptanoate

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