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WGO
WGO
表記:N~2~-{[2-(4-fluorophenoxy)-2-methylpropoxy]carbonyl}-N-{(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-L-leucinamide
組成式:C24 H36 F N3 O9 S
SMILES:CC(C)CC(NC(=O)OCC(C)(C)Oc1ccc(F)cc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:InChI=1S/C24H36FN3O9S/c1-14(2)11-18(28-23(32)36-13-24(3,4)37-17-7-5-16(25)6-8-17)21(30)27-19(22(31)38(33,34)35)12-15-9-10-26-20(15)29/h5-8,14-15,18-19,22,31H,9-13H2,1-4H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t15-,18-,19-,22+/m0/s1
定義日:2022-09-08
最終更新日:2024-09-27
公開日:2022-09-14
識別子（ID）:(1R,2S)-2-[(N-{[2-(4-fluorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
ZGF
ZGF
表記:N-(6-chloro-2H-1,3-benzodioxol-5-yl)acetamide
組成式:C9 H8 Cl N O3
SMILES:CC(=O)Nc1cc2OCOc2cc1Cl
InChi:InChI=1S/C9H8ClNO3/c1-5(12)11-7-3-9-8(2-6(7)10)13-4-14-9/h2-3H,4H2,1H3,(H,11,12)
定義日:2023-06-23
最終更新日:2024-09-27
公開日:2023-07-12
識別子（ID）:N-(6-chloro-2H-1,3-benzodioxol-5-yl)acetamide
URR
URR
表記:N~2~-(ethoxycarbonyl)-N-{(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-L-leucinamide
組成式:C24 H37 N3 O9 S2
SMILES:CC(C)CC(NC(=O)OCC(C)(C)S(=O)c1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:InChI=1S/C24H37N3O9S2/c1-15(2)12-18(27-23(31)36-14-24(3,4)37(32)17-8-6-5-7-9-17)21(29)26-19(22(30)38(33,34)35)13-16-10-11-25-20(16)28/h5-9,15-16,18-19,22,30H,10-14H2,1-4H3,(H,25,28)(H,26,29)(H,27,31)(H,33,34,35)/t16-,18-,19-,22-,37?/m0/s1
定義日:2022-08-23
最終更新日:2024-09-27
公開日:2022-09-07
識別子（ID）:(1S,2S)-2-[(N-{[2-(benzenesulfinyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
QSC
QSC
表記:(1R)-1-phenylethanamine
組成式:C8 H11 N
SMILES:NC(c1ccccc1)C
InChi:InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m1/s1
定義日:2011-12-22
最終更新日:2024-09-27
公開日:2012-11-16
識別子（ID）:(1R)-1-phenylethanamine
5FQ
5FQ
表記:N-pentyl-L-alaninamide
組成式:C8 H18 N2 O
SMILES:CCCCCNC(C(C)N)=O
InChi:InChI=1S/C8H18N2O/c1-3-4-5-6-10-8(11)7(2)9/h7H,3-6,9H2,1-2H3,(H,10,11)/t7-/m0/s1
定義日:2015-09-21
最終更新日:2024-09-27
公開日:2016-03-30
識別子（ID）:N-pentyl-L-alaninamide
XA6
XA6
表記:(2S)-3-(4-aminocarbonylphenyl)-2-azanyl-propanoic acid
組成式:C10 H12 N2 O3
SMILES:N[CH](Cc1ccc(cc1)C(N)=O)C(O)=O
InChi:InChI=1S/C10H12N2O3/c11-8(10(14)15)5-6-1-3-7(4-2-6)9(12)13/h1-4,8H,5,11H2,(H2,12,13)(H,14,15)/t8-/m0/s1
定義日:2021-04-01
最終更新日:2024-09-27
公開日:2021-12-15
識別子（ID）:(2~{S})-3-(4-aminocarbonylphenyl)-2-azanyl-propanoic acid
WWB
WWB
表記:5-(3-methylbut-2-en-1-yl)-L-tryptophan
組成式:C16 H20 N2 O2
SMILES:O=C(O)C(N)Cc1c[NH]c2ccc(cc21)CC=C(/C)C
InChi:InChI=1S/C16H20N2O2/c1-10(2)3-4-11-5-6-15-13(7-11)12(9-18-15)8-14(17)16(19)20/h3,5-7,9,14,18H,4,8,17H2,1-2H3,(H,19,20)/t14-/m0/s1
定義日:2023-10-16
最終更新日:2024-09-27
公開日:2024-09-25
識別子（ID）:5-(3-methylbut-2-en-1-yl)-L-tryptophan
MAH
MAH
表記:3-HYDROXY-3-METHYL-GLUTARIC ACID
組成式:C6 H10 O5
SMILES:O=C(O)CC(O)(C)CC(=O)O
InChi:InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)
定義日:2000-01-12
最終更新日:2024-09-27
識別子（ID）:3-hydroxy-3-methylpentanedioic acid
YFJ
YFJ
表記:8-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
組成式:C16 H13 N3 O
SMILES:O=C1NCCc2c1[nH]c3c2cccc3c4ccncc4
InChi:InChI=1S/C16H13N3O/c20-16-15-13(6-9-18-16)12-3-1-2-11(14(12)19-15)10-4-7-17-8-5-10/h1-5,7-8,19H,6,9H2,(H,18,20)
定義日:2023-12-04
最終更新日:2024-09-27
公開日:2024-10-02
識別子（ID）:8-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
SSN
SSN
表記:4-oxobutanoic acid
組成式:C4 H6 O3
SMILES:O=CCCC(=O)O
InChi:InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h3H,1-2H2,(H,6,7)
別名:Succinic semialdehyde
定義日:2011-01-31
最終更新日:2024-09-27
識別子（ID）:4-oxobutanoic acid
VM0
VM0
表記:(1S,2S)-2-{[N-({2-[(3-chlorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
組成式:C24 H36 Cl N3 O8 S2
SMILES:CC(C)CC(NC(=O)OCC(C)(C)Sc1cccc(Cl)c1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:InChI=1S/C24H36ClN3O8S2/c1-14(2)10-18(28-23(32)36-13-24(3,4)37-17-7-5-6-16(25)12-17)21(30)27-19(22(31)38(33,34)35)11-15-8-9-26-20(15)29/h5-7,12,14-15,18-19,22,31H,8-11,13H2,1-4H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t15-,18-,19-,22-/m0/s1
定義日:2022-08-30
最終更新日:2024-09-27
公開日:2022-09-07
識別子（ID）:(1S,2S)-2-{[N-({2-[(3-chlorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
ZX0
ZX0
表記:(3R)-1-[(4S)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-L-proline
組成式:C12 H22 N4 O6 S
SMILES:O=S(=O)(O)NC2C(C(=O)O)N(C(=O)NC1CCCNCC1)CC2
InChi:InChI=1S/C12H22N4O6S/c17-11(18)10-9(15-23(20,21)22)4-7-16(10)12(19)14-8-2-1-5-13-6-3-8/h8-10,13,15H,1-7H2,(H,14,19)(H,17,18)(H,20,21,22)/t8-,9+,10-/m0/s1
定義日:2009-12-03
最終更新日:2024-09-27
識別子（ID）:(3R)-1-[(4S)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-L-proline
ZX1
ZX1
表記:(3R)-1-[(4R)-AZEPAN-4-YLCARBAMOYL]-3-(SULFOAMINO)-L-PROLINE
組成式:C12 H22 N4 O6 S
SMILES:O=S(=O)(O)NC2C(C(=O)O)N(C(=O)NC1CCCNCC1)CC2
InChi:InChI=1S/C12H22N4O6S/c17-11(18)10-9(15-23(20,21)22)4-7-16(10)12(19)14-8-2-1-5-13-6-3-8/h8-10,13,15H,1-7H2,(H,14,19)(H,17,18)(H,20,21,22)/t8-,9-,10+/m1/s1
定義日:2009-12-03
最終更新日:2024-09-27
識別子（ID）:(3R)-1-[(4R)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-L-proline
XA8
XA8
表記:(1R,2S,5S)-N-[(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-(2-oxopiperidin-1-yl)butan-2-yl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
組成式:C28 H42 F3 N5 O6
SMILES:CC1(C)C2C(C(=O)NC(CN3CCCCC3=O)C(O)C(=O)N3CCC3)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C
InChi:InChI=1S/C28H42F3N5O6/c1-26(2,3)21(33-25(42)28(29,30)31)24(41)36-13-15-18(27(15,4)5)19(36)22(39)32-16(14-35-10-7-6-9-17(35)37)20(38)23(40)34-11-8-12-34/h15-16,18-21,38H,6-14H2,1-5H3,(H,32,39)(H,33,42)/t15-,16-,18-,19-,20+,21+/m0/s1
定義日:2022-11-08
最終更新日:2024-09-27
公開日:2023-10-11
識別子（ID）:(1R,2S,5S)-N-[(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-(2-oxopiperidin-1-yl)butan-2-yl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
N3X
N3X
表記:~{N}-[(1-methylindazol-6-yl)methyl]propanamide
組成式:C12 H15 N3 O
SMILES:CCC(=O)NCc1ccc2cnn(C)c2c1
InChi:InChI=1S/C12H15N3O/c1-3-12(16)13-7-9-4-5-10-8-14-15(2)11(10)6-9/h4-6,8H,3,7H2,1-2H3,(H,13,16)
定義日:2022-08-11
最終更新日:2024-09-27
公開日:2022-09-28
識別子（ID）:~{N}-[(1-methylindazol-6-yl)methyl]propanamide
W1L
W1L
表記:(1R,2S,5S)-N~3~,N~3~-bis(4-chlorophenyl)-N~2~-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,3-dicarboxamide
組成式:C28 H32 Cl2 N4 O4
SMILES:CC1(C)C2C(C(=O)NC(CC3CCNC3=O)CO)N(CC21)C(=O)N(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChi:InChI=1S/C28H32Cl2N4O4/c1-28(2)22-14-33(24(23(22)28)26(37)32-19(15-35)13-16-11-12-31-25(16)36)27(38)34(20-7-3-17(29)4-8-20)21-9-5-18(30)6-10-21/h3-10,16,19,22-24,35H,11-15H2,1-2H3,(H,31,36)(H,32,37)/t16-,19-,22-,23-,24-/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）:(1R,2S,5S)-N~3~,N~3~-bis(4-chlorophenyl)-N~2~-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,3-dicarboxamide
URV
URV
表記:[(2~{S})-2-azanyl-3-methyl-butyl]carbamic acid
組成式:C6 H14 N2 O2
SMILES:CC(C)[CH](N)CNC(O)=O
InChi:InChI=1S/C6H14N2O2/c1-4(2)5(7)3-8-6(9)10/h4-5,8H,3,7H2,1-2H3,(H,9,10)/t5-/m1/s1
定義日:2019-10-12
最終更新日:2024-09-27
公開日:2021-02-17
識別子（ID）:[(2~{S})-2-azanyl-3-methyl-butyl]carbamic acid
XOO
XOO
表記:4-{2-[({4-[(2P)-2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl]phenyl}methyl)amino]ethyl}-2-hydroxybenzaldehyde
組成式:C33 H28 N6 O2
SMILES:O=Cc1ccc(cc1O)CCNCc1ccc(cc1)n1c2nc(ccc2nc1c1cccnc1N)c1ccccc1
InChi:InChI=1S/C33H28N6O2/c34-31-27(7-4-17-36-31)32-38-29-15-14-28(24-5-2-1-3-6-24)37-33(29)39(32)26-12-9-23(10-13-26)20-35-18-16-22-8-11-25(21-40)30(41)19-22/h1-15,17,19,21,35,41H,16,18,20H2,(H2,34,36)
定義日:2023-11-06
最終更新日:2024-09-27
公開日:2024-09-04
識別子（ID）:4-{2-[({4-[(2P)-2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl]phenyl}methyl)amino]ethyl}-2-hydroxybenzaldehyde
5FU
5FU
表記:5-FLUORO-URIDINE-5'-MONOPHOSPHATE
組成式:C9 H12 F N2 O9 P
SMILES:FC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O
InChi:InChI=1S/C9H12FN2O9P/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(21-8)2-20-22(17,18)19/h1,4-6,8,13-14H,2H2,(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1
定義日:2007-02-02
最終更新日:2024-09-27
識別子（ID）:5-fluorouridine 5'-(dihydrogen phosphate)
ZGL
ZGL
表記:D-alpha-glutamine
組成式:C5 H10 N2 O3
SMILES:O=C(N)C(N)CCC(=O)O
InChi:InChI=1S/C5H10N2O3/c6-3(5(7)10)1-2-4(8)9/h3H,1-2,6H2,(H2,7,10)(H,8,9)/t3-/m1/s1
別名:Iso-D-glutamine
定義日:2011-10-27
最終更新日:2024-09-27
識別子（ID）:D-alpha-glutamine
UEP
UEP
表記:6-ethyluridine 5'-phosphate
組成式:C11 H17 N2 O9 P
SMILES:O=C1NC(=O)N(C(=C1)CC)C2OC(C(O)C2O)COP(=O)(O)O
InChi:InChI=1S/C11H17N2O9P/c1-2-5-3-7(14)12-11(17)13(5)10-9(16)8(15)6(22-10)4-21-23(18,19)20/h3,6,8-10,15-16H,2,4H2,1H3,(H,12,14,17)(H2,18,19,20)/t6-,8-,9-,10-/m1/s1
別名:6-ethyl-UMP
定義日:2008-10-23
最終更新日:2024-09-27
識別子（ID）:6-ethyluridine 5'-(dihydrogen phosphate)
RZ4
RZ4
表記:O-tert-butyl-L-serine
組成式:C7 H15 N O3
SMILES:O=C(O)C(N)COC(C)(C)C
InChi:InChI=1S/C7H15NO3/c1-7(2,3)11-4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m0/s1
定義日:2011-09-23
最終更新日:2024-09-27
識別子（ID）:O-tert-butyl-L-serine
XOP
XOP
表記:8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL PHENYLPHOSPHONATE
組成式:C14 H20 N O3 P
SMILES:OP(OC2CC1N(C)C(CC1)C2)c3ccccc3
InChi:InChI=1S/C14H20NO3P/c1-15-11-7-8-12(15)10-13(9-11)18-19(16,17)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3,(H,16,17)/t11-,12+,13+
定義日:2010-11-25
最終更新日:2024-09-27
識別子（ID）:(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl hydrogen (R)-phenylphosphonite
N40
N40
表記:3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-(octylsulfonyl)-L-alaninamide
組成式:C24 H45 N3 O5 S
SMILES:C(CCCCCCC)S(NC(CC1CCCCC1)C(NC(CO)CC2CCNC2=O)=O)(=O)=O
InChi:InChI=1S/C24H45N3O5S/c1-2-3-4-5-6-10-15-33(31,32)27-22(16-19-11-8-7-9-12-19)24(30)26-21(18-28)17-20-13-14-25-23(20)29/h19-22,27-28H,2-18H2,1H3,(H,25,29)(H,26,30)/t20-,21-,22-/m0/s1
別名:3-cyclohexyl-N~2~-(octylsulfonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide (bound form)
定義日:2016-09-12
最終更新日:2024-09-27
公開日:2016-11-23
識別子（ID）:3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-(octylsulfonyl)-L-alaninamide
WGU
WGU
表記:(1S,2S)-2-[(N-{[2-(4-fluorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
組成式:C24 H36 F N3 O9 S
SMILES:CC(C)CC(NC(=O)OCC(C)(C)Oc1ccc(F)cc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:InChI=1S/C24H36FN3O9S/c1-14(2)11-18(28-23(32)36-13-24(3,4)37-17-7-5-16(25)6-8-17)21(30)27-19(22(31)38(33,34)35)12-15-9-10-26-20(15)29/h5-8,14-15,18-19,22,31H,9-13H2,1-4H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t15-,18-,19-,22-/m0/s1
定義日:2022-09-08
最終更新日:2024-09-27
公開日:2022-09-14
識別子（ID）:(1S,2S)-2-[(N-{[2-(4-fluorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

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