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A1H2E
A1H2E
表記:1-[(4~{R})-4-azanyl-4-diphenoxyphosphoryl-butyl]guanidine
組成式:C17 H24 N4 O3 P
SMILES:N[CH](CCCNC(N)=[NH2+])[P](=O)(Oc1ccccc1)Oc2ccccc2
InChi:InChI=1S/C17H23N4O3P/c18-16(12-7-13-21-17(19)20)25(22,23-14-8-3-1-4-9-14)24-15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13,18H2,(H4,19,20,21)/p+1/t16-/m1/s1
定義日:2024-01-17
最終更新日:2024-09-27
公開日:2024-01-31
識別子（ID）:[azanyl-[[(4~{R})-4-azanyl-4-diphenoxyphosphoryl-butyl]amino]methylidene]azanium
S08
S08
表記:2-(6-(((R)-2-amino-2-oxo-1-phenylethyl)carbamoyl)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid
組成式:C18 H17 B N2 O6
SMILES:NC(=O)[CH](NC(=O)c1ccc2[CH](CC(O)=O)OB(O)c2c1)c3ccccc3
InChi:InChI=1S/C18H17BN2O6/c20-17(24)16(10-4-2-1-3-5-10)21-18(25)11-6-7-12-13(8-11)19(26)27-14(12)9-15(22)23/h1-8,14,16,26H,9H2,(H2,20,24)(H,21,25)(H,22,23)/t14-,16+/m0/s1
別名:2-[(3S)-6-[[(1R)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]carbamoyl]-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]ethanoic acid
定義日:2020-11-04
最終更新日:2024-09-27
公開日:2021-08-11
識別子（ID）:2-[(3~{S})-6-[[(1~{R})-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]carbamoyl]-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]ethanoic acid
W2P
W2P
表記:N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-4-(dimethylamino)butanamide
組成式:C27 H28 Cl F3 N6 O2
SMILES:FC(F)(F)c4cc(Oc1ccc(cc1Cl)Nc2ncnc3c2n(cc3)CCNC(=O)CCCN(C)C)ccc4
InChi:InChI=1S/C27H28ClF3N6O2/c1-36(2)12-4-7-24(38)32-11-14-37-13-10-22-25(37)26(34-17-33-22)35-19-8-9-23(21(28)16-19)39-20-6-3-5-18(15-20)27(29,30)31/h3,5-6,8-10,13,15-17H,4,7,11-12,14H2,1-2H3,(H,32,38)(H,33,34,35)
定義日:2012-12-06
最終更新日:2024-09-27
公開日:2013-01-11
識別子（ID）:N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-4-(dimethylamino)butanamide
PLW
PLW
表記:(2S)-2-[5-(1S,2S)-(1-AMINO-2-METHYL-BUTYL)-[1,2,3]TRIAZOL-1-YL]-PROPIONIC ACID
組成式:C10 H18 N4 O2
SMILES:O=C(O)C(n1nncc1C(N)C(C)CC)C
InChi:InChI=1S/C10H18N4O2/c1-4-6(2)9(11)8-5-12-13-14(8)7(3)10(15)16/h5-7,9H,4,11H2,1-3H3,(H,15,16)/t6-,7-,9-/m0/s1
定義日:2011-12-08
最終更新日:2024-09-27
識別子（ID）:(2S)-2-{5-[(1S,2S)-1-amino-2-methylbutyl]-1H-1,2,3-triazol-1-yl}propanoic acid
ZHW
ZHW
表記:(1R)-1-amino-2,3-dihydro-1H-inden-4-yl sulfurofluoridate
組成式:C9 H10 F N O3 S
SMILES:FS(=O)(=O)Oc1cccc2c1CCC2N
InChi:InChI=1S/C9H10FNO3S/c10-15(12,13)14-9-3-1-2-6-7(9)4-5-8(6)11/h1-3,8H,4-5,11H2/t8-/m1/s1
定義日:2023-03-10
最終更新日:2024-09-27
公開日:2023-07-05
識別子（ID）:(1R)-1-amino-2,3-dihydro-1H-inden-4-yl sulfurofluoridate
MBQ
MBQ
表記:2-HYDROXY-5-({1-[(4-METHYLPHENOXY)METHYL]-3-OXOPROP-1-ENYL}AMINO)-L-TYROSINE
組成式:C20 H22 N2 O6
SMILES:O=C(O)C(N)Cc2c(O)cc(O)c(NC(=CC=O)COc1ccc(cc1)C)c2
InChi:InChI=1S/C20H22N2O6/c1-12-2-4-15(5-3-12)28-11-14(6-7-23)22-17-9-13(8-16(21)20(26)27)18(24)10-19(17)25/h2-7,9-10,16,22,24-25H,8,11,21H2,1H3,(H,26,27)/b14-6+/t16-/m0/s1
定義日:2004-03-04
最終更新日:2024-09-27
識別子（ID）:2-hydroxy-5-({(1E)-1-[(4-methylphenoxy)methyl]-3-oxoprop-1-en-1-yl}amino)-L-tyrosine
NJC
NJC
表記:(2S,6R)-N-[[7-(2-chloranylethanoyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxane-4-carboxamide
組成式:C25 H35 Cl2 N3 O3
SMILES:C[CH]1CC(C[CH](C)O1)(Nc2ccc(Cl)cc2)C(=O)NCC3CC4(CCN(CC4)C(=O)CCl)C3
InChi:InChI=1S/C25H35Cl2N3O3/c1-17-11-25(12-18(2)33-17,29-21-5-3-20(27)4-6-21)23(32)28-16-19-13-24(14-19)7-9-30(10-8-24)22(31)15-26/h3-6,17-19,29H,7-16H2,1-2H3,(H,28,32)/t17-,18+,25+
定義日:2022-08-17
最終更新日:2024-09-27
公開日:2023-09-20
識別子（ID）:(2~{S},6~{R})-~{N}-[[7-(2-chloranylethanoyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxane-4-carboxamide
Y3A
Y3A
表記:N-[(benzyloxy)carbonyl]glycyl-N-[(2S,3R)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]glycinamide
組成式:C22 H26 Cl N3 O5
SMILES:ClCC(O)C(NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)Cc2ccccc2
InChi:InChI=1S/C22H26ClN3O5/c23-12-19(27)18(11-16-7-3-1-4-8-16)26-21(29)14-24-20(28)13-25-22(30)31-15-17-9-5-2-6-10-17/h1-10,18-19,27H,11-15H2,(H,24,28)(H,25,30)(H,26,29)/t18-,19-/m0/s1
別名:Z-Gly-Gly-Phe-Chloromethyl ketone (bound form)
定義日:2013-01-28
最終更新日:2024-09-27
公開日:2013-05-08
識別子（ID）:N-[(benzyloxy)carbonyl]glycyl-N-[(2S,3R)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]glycinamide
5H
5H
表記:5R-(4-BROMOPHENYLMETHYL)-3-(BENZENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE
組成式:C16 H13 Br N2 O3 S3
SMILES:O=S(=O)(NN1C(=O)C(SC1=S)Cc2ccc(Br)cc2)c3ccccc3
InChi:InChI=1S/C16H13BrN2O3S3/c17-12-8-6-11(7-9-12)10-14-15(20)19(16(23)24-14)18-25(21,22)13-4-2-1-3-5-13/h1-9,14,18H,10H2/t14-/m1/s1
定義日:2005-09-22
最終更新日:2024-09-27
識別子（ID）:N-[(5R)-5-(4-bromobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzenesulfonamide
UFY
UFY
表記:N-[(1R)-1-borono-3-methylbutyl]-Nalpha-(pyrazine-2-carbonyl)-D-phenylalaninamide
組成式:C19 H25 B N4 O4
SMILES:c1cncc(n1)C(NC(Cc2ccccc2)C(=O)NC(CC(C)C)B(O)O)=O
InChi:InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17+/m1/s1
定義日:2020-05-15
最終更新日:2024-09-27
公開日:2021-04-14
識別子（ID）:N-[(1R)-1-borono-3-methylbutyl]-Nalpha-(pyrazine-2-carbonyl)-D-phenylalaninamide
PLZ
PLZ
表記:4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]BUTANOIC ACID
組成式:C12 H19 N2 O7 P
SMILES:O=P(O)(O)OCc1cnc(c(O)c1CNCCCC(=O)O)C
InChi:InChI=1S/C12H19N2O7P/c1-8-12(17)10(6-13-4-2-3-11(15)16)9(5-14-8)7-21-22(18,19)20/h5,13,17H,2-4,6-7H2,1H3,(H,15,16)(H2,18,19,20)
定義日:2007-01-18
最終更新日:2024-09-27
識別子（ID）:4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]butanoic acid
ZHZ
ZHZ
表記:2-(4-METHOXYPHENYL)ACETAMIDE
組成式:C9 H11 N O2
SMILES:O=C(N)Cc1ccc(OC)cc1
InChi:InChI=1S/C9H11NO2/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H2,10,11)
定義日:2006-10-27
最終更新日:2024-09-27
識別子（ID）:2-(4-methoxyphenyl)acetamide
YGX
YGX
表記:(1~{S},2~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol
組成式:C7 H14 O6
SMILES:OC[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C7H14O6/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h2-13H,1H2/t2-,3+,4-,5-,6-,7-/m0/s1
定義日:2023-06-15
最終更新日:2024-09-27
公開日:2023-10-04
識別子（ID）:(1~{S},2~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol
UT8
UT8
表記:4-[(7-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde
組成式:C16 H15 N O5 S
SMILES:COc1ccc2N(CCOc2c1)[S](=O)(=O)c3ccc(C=O)cc3
InChi:InChI=1S/C16H15NO5S/c1-21-13-4-7-15-16(10-13)22-9-8-17(15)23(19,20)14-5-2-12(11-18)3-6-14/h2-7,10-11H,8-9H2,1H3
定義日:2021-03-17
最終更新日:2024-09-27
公開日:2021-06-09
識別子（ID）:4-[(7-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde
V8N
V8N
表記:2-[3-(aminomethyl)phenyl]ethanoic acid
組成式:C9 H11 N O2
SMILES:NCc1cccc(CC(O)=O)c1
InChi:InChI=1S/C9H11NO2/c10-6-8-3-1-2-7(4-8)5-9(11)12/h1-4H,5-6,10H2,(H,11,12)
定義日:2021-04-29
最終更新日:2024-09-27
公開日:2022-04-06
識別子（ID）:2-[3-(aminomethyl)phenyl]ethanoic acid
ZYJ
ZYJ
表記:(4R)-4-({[(1E)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-L-proline
組成式:C14 H18 N2 O5
SMILES:O=C(O)C2NCC(ON=Cc1ccc(OC)c(OC)c1)C2
InChi:InChI=1S/C14H18N2O5/c1-19-12-4-3-9(5-13(12)20-2)7-16-21-10-6-11(14(17)18)15-8-10/h3-5,7,10-11,15H,6,8H2,1-2H3,(H,17,18)/b16-7+/t10-,11+/m1/s1
定義日:2010-10-22
最終更新日:2024-09-27
識別子（ID）:(4R)-4-({[(E)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-L-proline
NJI
NJI
表記:2-chloranyl-1-[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
組成式:C21 H27 Cl2 N3 O3
SMILES:ClCC(=O)N1CC2(CCN(CC2)C(=O)C3(CCOCC3)Nc4ccc(Cl)cc4)C1
InChi:InChI=1S/C21H27Cl2N3O3/c22-13-18(27)26-14-20(15-26)5-9-25(10-6-20)19(28)21(7-11-29-12-8-21)24-17-3-1-16(23)2-4-17/h1-4,24H,5-15H2
定義日:2022-08-17
最終更新日:2024-09-27
公開日:2023-09-20
識別子（ID）:2-chloranyl-1-[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
UG2
UG2
表記:[4-(2-phenylimidazol-1-yl)phenyl]methanol
組成式:C16 H14 N2 O
SMILES:OCc1ccc(cc1)n2ccnc2c3ccccc3
InChi:InChI=1S/C16H14N2O/c19-12-13-6-8-15(9-7-13)18-11-10-17-16(18)14-4-2-1-3-5-14/h1-11,19H,12H2
定義日:2021-02-16
最終更新日:2024-09-27
公開日:2021-06-16
識別子（ID）:[4-(2-phenylimidazol-1-yl)phenyl]methanol
PM3
PM3
表記:2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-PROPIONIC ACID
組成式:C10 H14 N O5 P
SMILES:O=C(O)C(N)Cc1ccc(cc1)CP(=O)(O)O
InChi:InChI=1S/C10H14NO5P/c11-9(10(12)13)5-7-1-3-8(4-2-7)6-17(14,15)16/h1-4,9H,5-6,11H2,(H,12,13)(H2,14,15,16)/t9-/m0/s1
定義日:2006-05-03
最終更新日:2024-09-27
識別子（ID）:4-(phosphonomethyl)-L-phenylalanine
ZYK
ZYK
表記:(4R)-4-({[(3,4-dimethoxyphenyl)carbonyl]amino}oxy)-L-proline
組成式:C14 H18 N2 O6
SMILES:O=C(NOC1CC(C(=O)O)NC1)c2ccc(OC)c(OC)c2
InChi:InChI=1S/C14H18N2O6/c1-20-11-4-3-8(5-12(11)21-2)13(17)16-22-9-6-10(14(18)19)15-7-9/h3-5,9-10,15H,6-7H2,1-2H3,(H,16,17)(H,18,19)/t9-,10+/m1/s1
別名:3,4-dimethoxybenzamidoxy proline
定義日:2010-10-22
最終更新日:2024-09-27
識別子（ID）:(4R)-4-{[(3,4-dimethoxybenzoyl)amino]oxy}-L-proline
ZI3
ZI3
表記:N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
組成式:C22 H23 Cl N2 O3
SMILES:O=C(NC1(COC1)c1ccc(Cl)cc1)c1cccc2N(CCCc21)C(=O)CC
InChi:InChI=1S/C22H23ClN2O3/c1-2-20(26)25-12-4-6-17-18(5-3-7-19(17)25)21(27)24-22(13-28-14-22)15-8-10-16(23)11-9-15/h3,5,7-11H,2,4,6,12-14H2,1H3,(H,24,27)
定義日:2023-06-23
最終更新日:2024-09-27
公開日:2023-07-05
識別子（ID）:N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
Y3G
Y3G
表記:5-ethynylpyrimidine-2,4(1H,3H)-dione
組成式:C6 H4 N2 O2
SMILES:C#CC=1C(NC(NC=1)=O)=O
InChi:InChI=1S/C6H4N2O2/c1-2-4-3-7-6(10)8-5(4)9/h1,3H,(H2,7,8,9,10)
定義日:2021-02-01
最終更新日:2024-09-27
公開日:2021-04-07
識別子（ID）:5-ethynylpyrimidine-2,4(1H,3H)-dione
PM4
PM4
表記:S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}-3,3-DIMETHYLBUTANOYL)-BETA-ALANYL]AMINO}ETHYL) HEXANETHIOATE
組成式:C17 H33 N2 O7 P S
SMILES:O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)O)CCCCC
InChi:InChI=1S/C17H33N2O7PS/c1-4-5-6-7-14(21)28-11-10-18-13(20)8-9-19-16(23)15(22)17(2,3)12-26-27(24)25/h15,22,27H,4-12H2,1-3H3,(H,18,20)(H,19,23)(H,24,25)/t15-/m0/s1
定義日:2005-12-19
最終更新日:2024-09-27
識別子（ID）:S-[2-({N-[(2R)-2-hydroxy-4-{[(R)-hydroxy(oxido)phosphanyl]oxy}-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl] hexanethioate
PM5
PM5
表記:S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}-3,3-DIMETHYLBUTANOYL)-BETA-ALANYL]AMINO}ETHYL) HEPTANETHIOATE
組成式:C18 H35 N2 O7 P S
SMILES:O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)O)CCCCCC
InChi:InChI=1S/C18H35N2O7PS/c1-4-5-6-7-8-15(22)29-12-11-19-14(21)9-10-20-17(24)16(23)18(2,3)13-27-28(25)26/h16,23,28H,4-13H2,1-3H3,(H,19,21)(H,20,24)(H,25,26)/t16-/m0/s1
定義日:2005-12-19
最終更新日:2024-09-27
識別子（ID）:S-[2-({N-[(2R)-2-hydroxy-4-{[(R)-hydroxy(oxido)phosphanyl]oxy}-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl] heptanethioate
NYB
NYB
表記:N-METHYL-S-[(1R)-1-METHYLPROPYL]-L-CYSTEINE
組成式:C8 H17 N O2 S
SMILES:O=C(O)C(NC)CSC(CC)C
InChi:InChI=1S/C8H17NO2S/c1-4-6(2)12-5-7(9-3)8(10)11/h6-7,9H,4-5H2,1-3H3,(H,10,11)/t6-,7+/m1/s1
定義日:2010-07-14
最終更新日:2024-09-27
識別子（ID）:N-methyl-S-[(1R)-1-methylpropyl]-L-cysteine

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