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ZV4
ZV4
表記:(2S)-2-azanyl-3-(4-phosphonophenyl)propanoic acid
組成式:C9 H12 N O5 P
SMILES:N[CH](Cc1ccc(cc1)[P](O)(O)=O)C(O)=O
InChi:InChI=1S/C9H12NO5P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1
別名:phosphophenylalanine
定義日:2023-04-06
最終更新日:2024-09-27
公開日:2023-04-19
識別子（ID）:(2~{S})-2-azanyl-3-(4-phosphonophenyl)propanoic acid
RX9
RX9
表記:Dehydroisoleucine
組成式:C6 H11 N O2
SMILES:CCC(C)=C(N)C(O)=O
InChi:InChI=1S/C6H11NO2/c1-3-4(2)5(7)6(8)9/h3,7H2,1-2H3,(H,8,9)/b5-4+
別名:(E)-2-azanyl-3-methyl-pent-2-enoic acid
定義日:2022-12-09
最終更新日:2024-09-27
公開日:2023-01-18
識別子（ID）:(~{E})-2-azanyl-3-methyl-pent-2-enoic acid
ZDL
ZDL
表記:1,3-dimethylimidazolidine
組成式:C5 H12 N2
SMILES:CN1CCN(C)C1
InChi:InChI=1S/C5H12N2/c1-6-3-4-7(2)5-6/h3-5H2,1-2H3
定義日:2023-06-23
最終更新日:2024-09-27
公開日:2023-07-12
識別子（ID）:1,3-dimethylimidazolidine
T53
T53
表記:N-[2-({3-[({4-[(4-methylpiperazin-1-yl)methyl]benzoyl}amino)methyl]benzyl}oxy)phenyl]-3-nitrobenzamide
組成式:C34 H35 N5 O5
SMILES:O=[N+]([O-])c1cccc(c1)C(=O)Nc2ccccc2OCc3cc(ccc3)CNC(=O)c4ccc(cc4)CN5CCN(CC5)C
InChi:InChI=1S/C34H35N5O5/c1-37-16-18-38(19-17-37)23-25-12-14-28(15-13-25)33(40)35-22-26-6-4-7-27(20-26)24-44-32-11-3-2-10-31(32)36-34(41)29-8-5-9-30(21-29)39(42)43/h2-15,20-21H,16-19,22-24H2,1H3,(H,35,40)(H,36,41)
定義日:2015-09-30
最終更新日:2024-09-27
公開日:2016-09-21
識別子（ID）:N-[2-({3-[({4-[(4-methylpiperazin-1-yl)methyl]benzoyl}amino)methyl]benzyl}oxy)phenyl]-3-nitrobenzamide
NG9
NG9
表記:2-chloranyl-N-[[1-[4-[(4-chlorophenyl)amino]-2,2,6,6-tetramethyl-oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide
組成式:C24 H35 Cl2 N3 O3
SMILES:CC1(C)CC(CC(C)(C)O1)(Nc2ccc(Cl)cc2)C(=O)N3CCC(CC3)CNC(=O)CCl
InChi:InChI=1S/C24H35Cl2N3O3/c1-22(2)15-24(16-23(3,4)32-22,28-19-7-5-18(26)6-8-19)21(31)29-11-9-17(10-12-29)14-27-20(30)13-25/h5-8,17,28H,9-16H2,1-4H3,(H,27,30)
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-~{N}-[[1-[4-[(4-chlorophenyl)amino]-2,2,6,6-tetramethyl-oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide
V4N
V4N
表記:(5-methanoyl-2-nitro-phenyl) 3-chloranylbenzoate
組成式:C14 H8 Cl N O5
SMILES:[O-][N+](=O)c1ccc(C=O)cc1OC(=O)c2cccc(Cl)c2
InChi:InChI=1S/C14H8ClNO5/c15-11-3-1-2-10(7-11)14(18)21-13-6-9(8-17)4-5-12(13)16(19)20/h1-8H
定義日:2021-04-12
最終更新日:2024-09-27
公開日:2021-06-09
識別子（ID）:(5-methanoyl-2-nitro-phenyl) 3-chloranylbenzoate
NGA
NGA
表記:2-acetamido-2-deoxy-beta-D-galactopyranose
組成式:C8 H15 N O6
SMILES:O=C(NC1C(O)C(O)C(OC1O)CO)C
InChi:InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8-/m1/s1
別名:N-acetyl-beta-D-galactosamine
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:2-(acetylamino)-2-deoxy-beta-D-galactopyranose
ZV7
ZV7
表記:2-chloro-N-(3-oxopropyl)acetohydrazide
組成式:C5 H9 Cl N2 O2
SMILES:ClCC(=O)N(N)CCC=O
InChi:InChI=1S/C5H9ClN2O2/c6-4-5(10)8(7)2-1-3-9/h3H,1-2,4,7H2
定義日:2023-04-06
最終更新日:2024-09-27
公開日:2024-04-03
識別子（ID）:2-chloro-N-(3-oxopropyl)acetohydrazide
SBP
SBP
表記:[3-(1,3,2-DIOXABOROLAN-2-YLOXY)PROPYL]GUANIDINE
組成式:C6 H15 B N3 O3
SMILES:O(B1OCCO1)CCCNC(=[NH2+])N
InChi:InChI=1S/C6H14BN3O3/c8-6(9)10-2-1-3-11-7-12-4-5-13-7/h1-5H2,(H4,8,9,10)/p+1
定義日:2004-01-26
最終更新日:2024-09-27
識別子（ID）:amino{[3-(1,3,2-dioxaborolan-2-yloxy)propyl]amino}methaniminium
WE0
WE0
表記:(3~{S})-3-[[(3~{S})-2-[(2~{S})-3-methyl-2-(naphthalen-2-ylcarbonylamino)butanoyl]-4-oxidanyl-2-azabicyclo[2.2.2]octan-3-yl]carbonylamino]-4-oxidanyl-butanoic acid
組成式:C28 H35 N3 O7
SMILES:CC(C)[CH](NC(=O)c1ccc2ccccc2c1)C(=O)N3C4CCC(O)(CC4)[CH]3C(=O)N[CH](CO)CC(O)=O
InChi:InChI=1S/C28H35N3O7/c1-16(2)23(30-25(35)19-8-7-17-5-3-4-6-18(17)13-19)27(37)31-21-9-11-28(38,12-10-21)24(31)26(36)29-20(15-32)14-22(33)34/h3-8,13,16,20-21,23-24,32,38H,9-12,14-15H2,1-2H3,(H,29,36)(H,30,35)(H,33,34)/t20-,21-,23-,24+,28-/m0/s1
定義日:2016-12-12
最終更新日:2024-09-27
公開日:2017-12-20
識別子（ID）:(3~{S})-3-[[(3~{S})-2-[(2~{S})-3-methyl-2-(naphthalen-2-ylcarbonylamino)butanoyl]-4-oxidanyl-2-azabicyclo[2.2.2]octan-3-yl]carbonylamino]-4-oxidanyl-butanoic acid
ZDP
ZDP
表記:(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID
組成式:C8 H16 N2 O4
SMILES:O=C(O)C(N)(CCCC(N)C(=O)O)C
InChi:InChI=1S/C8H16N2O4/c1-8(10,7(13)14)4-2-3-5(9)6(11)12/h5H,2-4,9-10H2,1H3,(H,11,12)(H,13,14)/t5-,8-/m0/s1
定義日:2006-04-13
最終更新日:2024-09-27
識別子（ID）:(2S,6S)-2,6-diamino-2-methylheptanedioic acid
MN1
MN1
表記:4-CARBOXYPIPERIDINE
組成式:C6 H11 N O2
SMILES:O=C(O)C1CCNCC1
InChi:InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:piperidine-4-carboxylic acid
TLX
TLX
表記:N1-(2-AMINO-4-METHYLPENTYL)OCTAHYDRO-PYRROLO[1,2-A] PYRIMIDINE
組成式:C13 H27 N3
SMILES:N21CCCC1N(CCC2)CC(N)CC(C)C
InChi:InChI=1S/C13H27N3/c1-11(2)9-12(14)10-16-8-4-7-15-6-3-5-13(15)16/h11-13H,3-10,14H2,1-2H3/t12-,13+/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(2S)-1-[(8aR)-hexahydropyrrolo[1,2-a]pyrimidin-1(2H)-yl]-4-methylpentan-2-amine
R50
R50
表記: 2-methyl-1-[(4P)-3-methyl-4-(2-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-1H-pyrrolo[2,3-c]pyridin-1-yl]prop-2-en-1-one, bound form
組成式:C22 H25 N3 O
SMILES:CC(C)C(=O)n1cc(C)c2c1cncc2c1ccc2CN(C)CCc2c1
InChi:InChI=1S/C22H25N3O/c1-14(2)22(26)25-12-15(3)21-19(10-23-11-20(21)25)17-5-6-18-13-24(4)8-7-16(18)9-17/h5-6,9-12,14H,7-8,13H2,1-4H3
定義日:2022-06-16
最終更新日:2024-09-27
公開日:2022-10-12
識別子（ID）:2-methyl-1-[(4P)-3-methyl-4-(2-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-1H-pyrrolo[2,3-c]pyridin-1-yl]propan-1-one
ZDR
ZDR
表記:(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID
組成式:C8 H16 N2 O4
SMILES:O=C(O)C(N)(CCCC(N)C(=O)O)C
InChi:InChI=1S/C8H16N2O4/c1-8(10,7(13)14)4-2-3-5(9)6(11)12/h5H,2-4,9-10H2,1H3,(H,11,12)(H,13,14)/t5-,8+/m0/s1
定義日:2006-04-13
最終更新日:2024-09-27
識別子（ID）:(2R,6S)-2,6-diamino-2-methylheptanedioic acid
PX1
PX1
表記:(1Z)-7-AMINO-1-(HYDROXYMETHYLENE)-2-IMINO-4,6-DIMETHYL-3-OXO-2,3-DIHYDRO-1H-PHENOXAZINE-9-CARBALDEHYDE
組成式:C16 H13 N3 O6
SMILES:O=C2C(=[N@H])/C(/C1=Nc3c(OC1=C2C)c(c(cc3C=O)N)C)=CO
InChi:InChI=1S/C16H13N3O6/c1-4-7(17)3-6(15(21)22)10-13(4)25-14-5(2)12(20)9(18)8(16(23)24)11(14)19-10/h3,18,23-24H,17H2,1-2H3,(H,21,22)/b18-9-
定義日:2003-09-10
最終更新日:2024-09-27
識別子（ID）:(1E,2E)-7-amino-1-(hydroxymethylidene)-2-imino-4,6-dimethyl-3-oxo-2,3-dihydro-1H-phenoxazine-9-carbaldehyde
MN2
MN2
表記:1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE
組成式:C11 H17 N2 O2
SMILES:O=C(O)CCNCc1ccc(cc1)C[NH3+]
InChi:InChI=1S/C11H16N2O2/c12-7-9-1-3-10(4-2-9)8-13-6-5-11(14)15/h1-4,13H,5-8,12H2,(H,14,15)/p+1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(4-{[(2-carboxyethyl)amino]methyl}phenyl)methanaminium
TLY
TLY
表記:(2S)-2-azanyl-6-(ethanethioylamino)hexanoic acid
組成式:C8 H16 N2 O2 S
SMILES:O=C(O)C(N)CCCCNC(=S)C
InChi:InChI=1S/C8H16N2O2S/c1-6(13)10-5-3-2-4-7(9)8(11)12/h7H,2-5,9H2,1H3,(H,10,13)(H,11,12)/t7-/m0/s1
別名:6-N-thiolacetyl-L-lysine
定義日:2010-03-04
最終更新日:2024-09-27
識別子（ID）:N~6~-ethanethioyl-L-lysine
V4T
V4T
表記:1-[(4R,7S)-12-chloro-14-fluoro-13-(2-fluoro-6-hydroxyphenyl)-4-methyl-10-oxa-2,5,16,18-tetrazatetracyclo[9.7.1.0^(2,7).0^(15,19)]nonadeca-1(18),11,13,15(19),16-pentaen-5-en-1-one-yl]prop-2
組成式:C24 H21 Cl F2 N4 O3
SMILES:C[CH]1CN2[CH](CCOc3c(Cl)c(c(F)c4ncnc2c34)c5c(O)cccc5F)CN1C(=O)C=C
InChi:InChI=1S/C24H21ClF2N4O3/c1-3-16(33)30-10-13-7-8-34-23-19-22(28-11-29-24(19)31(13)9-12(30)2)21(27)18(20(23)25)17-14(26)5-4-6-15(17)32/h3-6,11-13,32H,1,7-10H2,2H3/t12-,13+/m1/s1
別名:146250992
定義日:2021-04-12
最終更新日:2024-09-27
公開日:2022-04-20
LV0
LV0
表記:~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide
組成式:C21 H21 N3 O3 S
SMILES:O[CH]([CH](Cc1ccccc1)NC(=O)c2ccccc2)C(=O)NCc3sccn3
InChi:InChI=1S/C21H21N3O3S/c25-19(21(27)23-14-18-22-11-12-28-18)17(13-15-7-3-1-4-8-15)24-20(26)16-9-5-2-6-10-16/h1-12,17,19,25H,13-14H2,(H,23,27)(H,24,26)/t17-,19+/m1/s1
定義日:2022-12-08
最終更新日:2024-09-27
公開日:2023-03-29
識別子（ID）:~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide
1OG
1OG
表記: 7-alkylidenecephalosporin DCM-1-10, bound form
組成式:C16 H21 N O9 S
SMILES:O=S1(=O)C(C(=O)OC(C)(C)C)C(C=NC(=C(C1)COC(=O)C)C(=O)O)C=O
InChi:InChI=1S/C16H21NO9S/c1-9(19)25-7-11-8-27(23,24)13(15(22)26-16(2,3)4)10(6-18)5-17-12(11)14(20)21/h5-6,10,13H,7-8H2,1-4H3,(H,20,21)/b12-11-,17-5-/t10-,13+/m0/s1
別名:(3Z,5Z,7S,8R)-3-[(acetyloxy)methyl]-8-(tert-butoxycarbonyl)-7-formyl-7,8-dihydro-2H-1,5-thiazocine-4-carboxylic acid 1,1-dioxide
定義日:2013-04-11
最終更新日:2024-09-27
公開日:2013-12-04
識別子（ID）:(3Z,5Z,7S,8R)-3-[(acetyloxy)methyl]-8-(tert-butoxycarbonyl)-7-formyl-7,8-dihydro-2H-1,5-thiazocine-4-carboxylic acid 1,1-dioxide
MN7
MN7
表記:1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE
組成式:C12 H17 N O2
SMILES:O=C(O)c1ccc(cc1)CNCC(C)C
InChi:InChI=1S/C12H17NO2/c1-9(2)7-13-8-10-3-5-11(6-4-10)12(14)15/h3-6,9,13H,7-8H2,1-2H3,(H,14,15)
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:4-{[(2-methylpropyl)amino]methyl}benzoic acid
PX5
PX5
表記:4-(1,3-benzothiazol-2-yl)-4-hydroxycyclohexa-2,5-dien-1-one
組成式:C13 H9 N O2 S
SMILES:O=C3C=CC(O)(c1nc2ccccc2s1)C=C3
InChi:InChI=1S/C13H9NO2S/c15-9-5-7-13(16,8-6-9)12-14-10-3-1-2-4-11(10)17-12/h1-8,16H
別名:4-(benzothiazol-2-yl)-4-hydroxycyclohexa-2,5-dienone
定義日:2010-08-30
最終更新日:2024-09-27
識別子（ID）:4-(1,3-benzothiazol-2-yl)-4-hydroxycyclohexa-2,5-dien-1-one
MN8
MN8
表記:2-(4-CARCOXY-5-ISOPROPYLTHIAZOLYL)BENZOPIPERIDINE
組成式:C16 H18 N2 O2 S
SMILES:O=C(O)c1nc(sc1C(C)C)C3NCc2ccccc2C3
InChi:InChI=1S/C16H18N2O2S/c1-9(2)14-13(16(19)20)18-15(21-14)12-7-10-5-3-4-6-11(10)8-17-12/h3-6,9,12,17H,7-8H2,1-2H3,(H,19,20)/t12-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:5-(1-methylethyl)-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,3-thiazole-4-carboxylic acid
PYX
PYX
表記:S-[S-THIOPYRIDOXAMINYL]CYSTEINE
組成式:C11 H17 N3 O3 S2
SMILES:O=C(O)C(N)CSSCc1cnc(c(O)c1CN)C
InChi:InChI=1S/C11H17N3O3S2/c1-6-10(15)8(2-12)7(3-14-6)4-18-19-5-9(13)11(16)17/h3,9,15H,2,4-5,12-13H2,1H3,(H,16,17)/t9-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:3-({[4-(aminomethyl)-5-hydroxy-6-methylpyridin-3-yl]methyl}disulfanyl)-L-alanine

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