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OCA
OCA
表記:OCTANOIC ACID (CAPRYLIC ACID)
組成式:C8 H16 O2
SMILES:O=C(O)CCCCCCC
InChi:InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:octanoic acid
SEB
SEB
表記:O-BENZYLSULFONYL-SERINE
組成式:C10 H13 N O5 S
SMILES:O=C(O)C(N)COS(=O)(=O)Cc1ccccc1
InChi:InChI=1S/C10H13NO5S/c11-9(10(12)13)6-16-17(14,15)7-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1
定義日:1999-08-12
最終更新日:2024-09-27
識別子（ID）:O-(benzylsulfonyl)-L-serine
Q0I
Q0I
表記:(4R)-6-chloro-N-(isoquinolin-4-yl)-N-propanoyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C22 H19 Cl N2 O3
SMILES:CCC(=O)N(c1cncc2ccccc21)C(=O)C1CCOc2ccc(Cl)cc21
InChi:InChI=1S/C22H19ClN2O3/c1-2-21(26)25(19-13-24-12-14-5-3-4-6-16(14)19)22(27)17-9-10-28-20-8-7-15(23)11-18(17)20/h3-8,11-13,17H,2,9-10H2,1H3/t17-/m1/s1
定義日:2023-08-18
最終更新日:2024-09-27
公開日:2023-11-08
識別子（ID）:(4R)-6-chloro-N-(isoquinolin-4-yl)-N-propanoyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide
R7D
R7D
表記:N~2~-{(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl}-N-[(pyridin-2-yl)methyl]-L-cysteinamide
組成式:C18 H18 F3 N3 O3 S
SMILES:SCC(C(NCc1ncccc1)=O)NC(C(c2ccc(cc2)C(F)(F)F)O)=O
InChi:InChI=1S/C18H18F3N3O3S/c19-18(20,21)12-6-4-11(5-7-12)15(25)17(27)24-14(10-28)16(26)23-9-13-3-1-2-8-22-13/h1-8,14-15,25,28H,9-10H2,(H,23,26)(H,24,27)/t14-,15+/m0/s1
定義日:2020-02-04
最終更新日:2024-09-27
公開日:2020-08-05
識別子（ID）:N~2~-{(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl}-N-[(pyridin-2-yl)methyl]-L-cysteinamide
T7V
T7V
表記:N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
組成式:C10 H12 Cl N O
SMILES:c1cc(Cl)cc(C(C)NC(=O)C)c1
InChi:InChI=1S/C10H12ClNO/c1-7(12-8(2)13)9-4-3-5-10(11)6-9/h3-7H,1-2H3,(H,12,13)/t7-/m0/s1
定義日:2020-03-16
最終更新日:2024-09-27
公開日:2020-03-25
識別子（ID）:N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
SEC
SEC
表記:SELENOCYSTEINE
組成式:C3 H7 N O2 Se
SMILES:O=C(O)C(N)C[SeH]
InChi:InChI=1S/C3H7NO2Se/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:3-selanyl-L-alanine
MPL
MPL
表記:N-METHYL-PYRIDOXAL-5'-PHOSPHATE
組成式:C9 H13 N O6 P
SMILES:O=P(O)(O)OCc1c[n+](c(c(O)c1C=O)C)C
InChi:InChI=1S/C9H12NO6P/c1-6-9(12)8(4-11)7(3-10(6)2)5-16-17(13,14)15/h3-4H,5H2,1-2H3,(H2-,11,12,13,14,15)/p+1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:4-formyl-3-hydroxy-1,2-dimethyl-5-[(phosphonooxy)methyl]pyridinium
UST
UST
表記:4-(2,3-dihydroindol-1-ylsulfonyl)benzaldehyde
組成式:C15 H13 N O3 S
SMILES:O=Cc1ccc(cc1)[S](=O)(=O)N2CCc3ccccc23
InChi:InChI=1S/C15H13NO3S/c17-11-12-5-7-14(8-6-12)20(18,19)16-10-9-13-3-1-2-4-15(13)16/h1-8,11H,9-10H2
定義日:2021-03-15
最終更新日:2024-09-27
公開日:2021-06-09
識別子（ID）:4-(2,3-dihydroindol-1-ylsulfonyl)benzaldehyde
L3F
L3F
表記:(phenylmethyl) N-[(2S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]carbamate
組成式:C22 H28 N2 O4
SMILES:CC(C)[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](CO)Cc2ccccc2
InChi:InChI=1S/C22H28N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,16,19-20,25H,13-15H2,1-2H3,(H,23,26)(H,24,27)/t19-,20-/m0/s1
別名:benzyl N-[(2S)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
定義日:2022-06-14
最終更新日:2024-09-27
公開日:2023-07-05
識別子（ID）:(phenylmethyl) ~{N}-[(2~{S})-3-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]carbamate
NX0
NX0
表記:1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one
組成式:C10 H12 N2 O2
SMILES:CCC(=O)N1CCOc2ncccc12
InChi:InChI=1S/C10H12N2O2/c1-2-9(13)12-6-7-14-10-8(12)4-3-5-11-10/h3-5H,2,6-7H2,1H3
別名:1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)prop-2-en-1-one (precursor)
定義日:2022-08-24
最終更新日:2024-09-27
公開日:2022-09-28
識別子（ID）:1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one
SEE
SEE
表記:trihydroxy(L-serinato-kappaO~3~)borate(1-)
組成式:C3 H9 B N O6
SMILES:O=C(O)C(N)CO[B-](O)(O)O
InChi:InChI=1S/C3H9BNO6/c5-2(3(6)7)1-11-4(8,9)10/h2,8-10H,1,5H2,(H,6,7)/q-1/t2-/m0/s1
定義日:2009-03-03
最終更新日:2024-09-27
識別子（ID）:trihydroxy(L-serinato-kappaO~3~)borate(1-)
SEF
SEF
表記:ethyl (R)-{10-[(hept-6-yn-1-ylcarbamoyl)oxy]decyl}phosphonofluoridate
組成式:C20 H37 F N O4 P
SMILES:FP(=O)(OCC)CCCCCCCCCCOC(=O)NCCCCCC#C
InChi:InChI=1S/C20H37FNO4P/c1-3-5-6-11-14-17-22-20(23)25-18-15-12-9-7-8-10-13-16-19-27(21,24)26-4-2/h1H,4-19H2,2H3,(H,22,23)/t27-/m1/s1
定義日:2013-03-22
最終更新日:2024-09-27
公開日:2013-04-10
識別子（ID）:ethyl (R)-{10-[(hept-6-yn-1-ylcarbamoyl)oxy]decyl}phosphonofluoridate
TO4
TO4
表記:propan-2-yl (R)-dodec-11-en-1-ylphosphonofluoridate
組成式:C15 H30 F O2 P
SMILES:P(CCCCCCCCCC[C@H]=C)(F)(=O)OC(C)C
InChi:InChI=1S/C15H30FO2P/c1-4-5-6-7-8-9-10-11-12-13-14-19(16,17)18-15(2)3/h4,15H,1,5-14H2,2-3H3/t19-/m1/s1
別名:11-dodecenyl-phosphonofluoridic acid 1-methylethyl ester
定義日:2020-03-25
最終更新日:2024-09-27
公開日:2020-04-08
識別子（ID）:propan-2-yl (R)-dodec-11-en-1-ylphosphonofluoridate
TA1
TA1
表記:TAXOL
組成式:C47 H51 N O14
SMILES:O=C(c1ccccc1)NC(c2ccccc2)C(O)C(=O)OC5C(=C4C(OC(=O)C)C(=O)C7(C(C(OC(=O)c3ccccc3)C(O)(C4(C)C)C5)C6(OC(=O)C)C(OC6)CC7O)C)C
InChi:InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1
定義日:2001-07-05
最終更新日:2024-09-27
識別子（ID）:(2beta,5beta,7alpha,8alpha,10alpha,13alpha)-4,10-bis(acetyloxy)-1,7-dihydroxy-13-({(2R,3S)-2-hydroxy-3-phenyl-3-[(phenylcarbonyl)amino]propanoyl}oxy)-9-oxo-5,20-epoxytax-11-en-2-yl benzoate
4ND
4ND
表記:N4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINE
組成式:C14 H15 N5 O
SMILES:O=C(N(c1ccccc1)c2ccccc2)NNC(=[N@H])N
InChi:InChI=1S/C14H15N5O/c15-13(16)17-18-14(20)19(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,18,20)(H4,15,16,17)
定義日:2003-01-24
最終更新日:2024-09-27
識別子（ID）:2-carbamimidoyl-N,N-diphenylhydrazinecarboxamide
MRF
MRF
表記:2-chloranyl-~{N}-[[1-[4-(4-chloranylphenoxy)piperidin-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide
組成式:C20 H27 Cl2 N3 O3
SMILES:ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCNCC2)Oc3ccc(Cl)cc3
InChi:InChI=1S/C20H27Cl2N3O3/c21-13-18(26)24-14-15-5-11-25(12-6-15)19(27)20(7-9-23-10-8-20)28-17-3-1-16(22)2-4-17/h1-4,15,23H,5-14H2,(H,24,26)
定義日:2022-08-04
最終更新日:2024-09-27
公開日:2023-09-20
識別子（ID）:2-chloranyl-~{N}-[[1-[4-(4-chloranylphenoxy)piperidin-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide
W1C
W1C
表記:N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-N~2~-{[(pyridin-3-yl)methoxy]carbonyl}-L-leucinamide
組成式:C21 H32 N4 O5
SMILES:CC(C)(C)CC(NC(=O)OCc1cccnc1)C(=O)NC(CC1CCNC1=O)CO
InChi:InChI=1S/C21H32N4O5/c1-21(2,3)10-17(25-20(29)30-13-14-5-4-7-22-11-14)19(28)24-16(12-26)9-15-6-8-23-18(15)27/h4-5,7,11,15-17,26H,6,8-10,12-13H2,1-3H3,(H,23,27)(H,24,28)(H,25,29)/t15-,16+,17-/m0/s1
定義日:2023-09-21
最終更新日:2024-09-27
公開日:2024-09-25
識別子（ID）:N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-N~2~-{[(pyridin-3-yl)methoxy]carbonyl}-L-leucinamide
R7G
R7G
表記:1-[(2S)-2-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6 -dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1H-pyrazole-3-carboxylic acid
組成式:C27 H28 N8 O12 S
SMILES:O=C1N(C(c2c1cc(c(c2)O)O)=O)CCNC(=O)C=3CN(NC=3C(O)=O)CC(C=O)NC(=O)C(=N/OC(C)(C)C(O)=O)c4csc(n4)N
InChi:InChI=1S/C27H28N8O12S/c1-27(2,25(45)46)47-33-19(15-10-48-26(28)31-15)21(40)30-11(9-36)7-34-8-14(18(32-34)24(43)44)20(39)29-3-4-35-22(41)12-5-16(37)17(38)6-13(12)23(35)42/h5-6,9-11,32,37-38H,3-4,7-8H2,1-2H3,(H2,28,31)(H,29,39)(H,30,40)(H,43,44)(H,45,46)/b33-19-/t11-/m0/s1
別名:YU253434
定義日:2020-02-05
最終更新日:2024-09-27
公開日:2020-05-13
識別子（ID）:1-[(2S)-2-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1H-pyrazole-3-carboxylic acid
T7Y
T7Y
表記:N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
組成式:C12 H14 N2 O2
SMILES:N2(c1cccc(c1)NC(C)=O)CCCC2=O
InChi:InChI=1S/C12H14N2O2/c1-9(15)13-10-4-2-5-11(8-10)14-7-3-6-12(14)16/h2,4-5,8H,3,6-7H2,1H3,(H,13,15)
定義日:2020-03-16
最終更新日:2024-09-27
公開日:2020-03-25
識別子（ID）:N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
TA2
TA2
表記:(2R,3S)-3-AMINO-3-PHENYLPROPANE-1,2-DIOL
組成式:C9 H11 N O3
SMILES:OCC(O)C(N)c1ccccc1
InChi:InChI=1S/C9H11NO3/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7-,8+/m0/s1
定義日:2006-09-22
最終更新日:2024-09-27
識別子（ID）:(2R,3S)-3-amino-3-phenylpropane-1,2-diol
OCE
OCE
表記:octanedioic acid
組成式:C8 H14 O4
SMILES:O=C(O)CCCCCCC(=O)O
InChi:InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)
定義日:2010-05-26
最終更新日:2024-09-27
識別子（ID）:octanedioic acid
PZN
PZN
表記:3-(2-{5-TERT-BUTYL-3-[(4-METHYL-FURAZAN-3-YLMETHYL)-AMINO]-2-OXO-2H-PYRAZIN-1-YL}-BUTYRYLAMINO)-5-(HEXYL-METHYL-AMINO)-4-OXO-PENTANOIC ACID ANION
組成式:C28 H44 N7 O6
SMILES:[O-]C(=O)CC(C(=O)CN(CCCCCC)C)NC(=O)C(N1C(=O)C(=NC(=C1)C(C)(C)C)NCc2nonc2C)CC
InChi:InChI=1S/C28H45N7O6/c1-8-10-11-12-13-34(7)16-22(36)19(14-24(37)38)30-26(39)21(9-2)35-17-23(28(4,5)6)31-25(27(35)40)29-15-20-18(3)32-41-33-20/h17,19,21H,8-16H2,1-7H3,(H,29,31)(H,30,39)(H,37,38)/p-1/t19-,21-/m0/s1
定義日:2003-11-19
最終更新日:2024-09-27
識別子（ID）:(3S)-3-({(2S)-2-[5-tert-butyl-3-{[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}-2-oxopyrazin-1(2H)-yl]butanoyl}amino)-5-[hexyl(methyl)amino]-4-oxopentanoate
LI5
LI5
表記:2-HYDROXY-4,5-DIOXOHEPTYL HYDROGEN PHOSPHONATE
組成式:C7 H13 O6 P
SMILES:O=P(O)OCC(O)CC(=O)C(=O)CC
InChi:InChI=1S/C7H13O6P/c1-2-6(9)7(10)3-5(8)4-13-14(11)12/h5,8,14H,2-4H2,1H3,(H,11,12)/t5-/m1/s1
定義日:2005-01-03
最終更新日:2024-09-27
識別子（ID）:(2R)-2-hydroxy-4,5-dioxoheptyl hydrogen (R)-phosphonate
MRG
MRG
表記:N2-(3-MERCAPTOPROPYL)-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE
組成式:C13 H20 N5 O7 P S
SMILES:O=C1c2ncn(c2N=C(NCCCS)N1)C3OC(C(O)C3)COP(=O)(O)O
InChi:InChI=1S/C13H20N5O7PS/c19-7-4-9(25-8(7)5-24-26(21,22)23)18-6-15-10-11(18)16-13(17-12(10)20)14-2-1-3-27/h6-9,19,27H,1-5H2,(H2,21,22,23)(H2,14,16,17,20)/t7-,8+,9+/m0/s1
定義日:2002-12-09
最終更新日:2024-09-27
識別子（ID）:2'-deoxy-N-(3-sulfanylpropyl)guanosine 5'-(dihydrogen phosphate)
N5U
N5U
表記:1-[(2~{R})-2-(3-methylimidazol-4-yl)piperidin-1-yl]propan-1-one
組成式:C12 H19 N3 O
SMILES:CCC(=O)N1CCCC[CH]1c2cncn2C
InChi:InChI=1S/C12H19N3O/c1-3-12(16)15-7-5-4-6-10(15)11-8-13-9-14(11)2/h8-10H,3-7H2,1-2H3/t10-/m1/s1
定義日:2022-08-12
最終更新日:2024-09-27
公開日:2022-09-28
識別子（ID）:1-[(2~{R})-2-(3-methylimidazol-4-yl)piperidin-1-yl]propan-1-one

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