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0A9
0A9
表記:methyl L-phenylalaninate
組成式:C10 H13 N O2
SMILES:O=C(OC)C(N)Cc1ccccc1
InChi:InChI=1S/C10H13NO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/t9-/m0/s1
定義日:2007-11-09
最終更新日:2023-11-03
識別子（ID）:methyl L-phenylalaninate
ZTT
ZTT
表記:(1R)-7-[2-[[(1R)-1,3-dimethyl-2-oxidanylidene-1H-3-benzazepin-7-yl]oxy]ethoxy]-1,3-dimethyl-1H-3-benzazepin-2-one
組成式:C26 H28 N2 O4
SMILES:C[CH]1C(=O)N(C)C=Cc2cc(OCCOc3ccc4[CH](C)C(=O)N(C)C=Cc4c3)ccc12
InChi:InChI=1S/C26H28N2O4/c1-17-23-7-5-21(15-19(23)9-11-27(3)25(17)29)31-13-14-32-22-6-8-24-18(2)26(30)28(4)12-10-20(24)16-22/h5-12,15-18H,13-14H2,1-4H3
別名:(1R,1'R)-7,7'-(ethane-1,2-diylbis(oxy))bis(1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one)
定義日:2023-07-25
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(1~{R})-7-[2-[[(1~{R})-1,3-dimethyl-2-oxidanylidene-1~{H}-3-benzazepin-7-yl]oxy]ethoxy]-1,3-dimethyl-1~{H}-3-benzazepin-2-one
Q5C
Q5C
表記:N-(4-methylpyridin-3-yl)-N~2~-[(pyridin-3-yl)acetyl]glycinamide
組成式:C15 H16 N4 O2
SMILES:O=C(Nc1cnccc1C)CNC(=O)Cc1cccnc1
InChi:InChI=1S/C15H16N4O2/c1-11-4-6-17-9-13(11)19-15(21)10-18-14(20)7-12-3-2-5-16-8-12/h2-6,8-9H,7,10H2,1H3,(H,18,20)(H,19,21)
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-(4-methylpyridin-3-yl)-N~2~-[(pyridin-3-yl)acetyl]glycinamide
TSY
TSY
表記:(2S)-2-amino-3-trisulfanylpropanoic acid
組成式:C3 H7 N O2 S3
SMILES:O=C(O)C(N)CSSS
InChi:InChI=1S/C3H7NO2S3/c4-2(3(5)6)1-8-9-7/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
定義日:2013-04-24
最終更新日:2023-11-03
公開日:2013-11-27
識別子（ID）:3-trisulfanyl-L-alanine
SZF
SZF
表記:1-methoxy-N-methyl-L-tryptophan
組成式:C13 H16 N2 O3
SMILES:O=C(O)C(NC)Cc1cn(OC)c2ccccc21
InChi:InChI=1S/C13H16N2O3/c1-14-11(13(16)17)7-9-8-15(18-2)12-6-4-3-5-10(9)12/h3-6,8,11,14H,7H2,1-2H3,(H,16,17)/t11-/m0/s1
定義日:2022-07-13
最終更新日:2023-11-03
公開日:2023-05-24
識別子（ID）:1-methoxy-N-methyl-L-tryptophan
TEE
TEE
表記:2-AMINO-ETHENETHIOL
組成式:C2 H5 N S
SMILES:S/C=CN
InChi:InChI=1S/C2H5NS/c3-1-2-4/h1-2,4H,3H2/b2-1-
別名:2-THIOETHENAMINE
定義日:2002-10-04
最終更新日:2023-11-03
識別子（ID）:(Z)-2-aminoethenethiol
S5L
S5L
表記:(4S)-2-[2-(4-acetamidoanilino)-2-oxoethyl]-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
組成式:C29 H26 Cl N5 O3
SMILES:CC(=O)Nc1ccc(cc1)NC(=O)CN1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C29H26ClN5O3/c1-18(36)32-22-8-10-23(11-9-22)33-28(37)17-35-15-20-6-7-21(30)12-25(20)26(16-35)29(38)34-27-14-31-13-19-4-2-3-5-24(19)27/h2-14,26H,15-17H2,1H3,(H,32,36)(H,33,37)(H,34,38)/t26-/m1/s1
定義日:2023-08-22
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4S)-2-[2-(4-acetamidoanilino)-2-oxoethyl]-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
ZU0
ZU0
表記:O-tert-butyl-L-threonine
組成式:C8 H17 N O3
SMILES:O=C(O)C(N)C(OC(C)(C)C)C
InChi:InChI=1S/C8H17NO3/c1-5(6(9)7(10)11)12-8(2,3)4/h5-6H,9H2,1-4H3,(H,10,11)/t5-,6+/m1/s1
定義日:2008-12-10
最終更新日:2023-11-03
識別子（ID）:O-tert-butyl-L-threonine
VVN
VVN
表記:N-[2-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide
組成式:C21 H21 N3 O3
SMILES:CCC(=O)N(C)CCOc1ccccc1Oc1cccn2cc(cc12)C#N
InChi:InChI=1S/C21H21N3O3/c1-3-21(25)23(2)11-12-26-19-7-4-5-8-20(19)27-18-9-6-10-24-15-16(14-22)13-17(18)24/h4-10,13,15H,3,11-12H2,1-2H3
定義日:2023-09-19
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-[2-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide
0AF
0AF
表記:7-hydroxy-L-tryptophan
組成式:C11 H12 N2 O3
SMILES:O=C(O)C(N)Cc2c1cccc(O)c1nc2
InChi:InChI=1S/C11H12N2O3/c12-8(11(15)16)4-6-5-13-10-7(6)2-1-3-9(10)14/h1-3,5,8,13-14H,4,12H2,(H,15,16)/t8-/m0/s1
定義日:2007-11-11
最終更新日:2023-11-03
識別子（ID）:7-hydroxy-L-tryptophan
OI4
OI4
表記:(4R)-6-chloro-N-(4-methylpyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C16 H15 Cl N2 O2
SMILES:Cc1ccncc1NC(=O)C1CCOc2ccc(Cl)cc21
InChi:InChI=1S/C16H15ClN2O2/c1-10-4-6-18-9-14(10)19-16(20)12-5-7-21-15-3-2-11(17)8-13(12)15/h2-4,6,8-9,12H,5,7H2,1H3,(H,19,20)/t12-/m1/s1
定義日:2023-08-17
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4R)-6-chloro-N-(4-methylpyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Q5K
Q5K
表記:(2S)-N-{2-[(4-fluorobenzene-1-sulfonyl)amino]phenyl}-2-hydroxy-2-(pyridin-3-yl)acetamide
組成式:C19 H16 F N3 O4 S
SMILES:OC(C(=O)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1cccnc1
InChi:InChI=1S/C19H16FN3O4S/c20-14-7-9-15(10-8-14)28(26,27)23-17-6-2-1-5-16(17)22-19(25)18(24)13-4-3-11-21-12-13/h1-12,18,23-24H,(H,22,25)/t18-/m0/s1
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(2S)-N-{2-[(4-fluorobenzene-1-sulfonyl)amino]phenyl}-2-hydroxy-2-(pyridin-3-yl)acetamide
KF2
KF2
表記:[(1~{R})-1-azanyl-3-phenyl-propyl]-[(2~{S})-2-methanoyl-4-methyl-pentyl]phosphinic acid
組成式:C16 H26 N O3 P
SMILES:CC(C)C[CH](C[P](O)(=O)[CH](N)CCc1ccccc1)C=O
InChi:InChI=1S/C16H26NO3P/c1-13(2)10-15(11-18)12-21(19,20)16(17)9-8-14-6-4-3-5-7-14/h3-7,11,13,15-16H,8-10,12,17H2,1-2H3,(H,19,20)/t15-,16+/m0/s1
定義日:2019-05-16
最終更新日:2023-11-03
公開日:2019-12-18
識別子（ID）:[(1~{R})-1-azanyl-3-phenyl-propyl]-[(2~{S})-2-methanoyl-4-methyl-pentyl]phosphinic acid
0AK
0AK
表記:(2S)-2-amino-4-(2-chloroethoxy)-4-oxobutanoic acid
組成式:C6 H10 Cl N O4
SMILES:O=C(OCCCl)CC(N)C(=O)O
InChi:InChI=1S/C6H10ClNO4/c7-1-2-12-5(9)3-4(8)6(10)11/h4H,1-3,8H2,(H,10,11)/t4-/m0/s1
定義日:2007-11-11
最終更新日:2023-11-03
識別子（ID）:(2S)-2-amino-4-(2-chloroethoxy)-4-oxobutanoic acid (non-preferred name)
NO0
NO0
表記:2-(3-ethynylphenyl)-N-(isoquinolin-4-yl)acetamide
組成式:C19 H14 N2 O
SMILES:C#Cc1cccc(c1)CC(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C19H14N2O/c1-2-14-6-5-7-15(10-14)11-19(22)21-18-13-20-12-16-8-3-4-9-17(16)18/h1,3-10,12-13H,11H2,(H,21,22)
定義日:2023-08-16
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(3-ethynylphenyl)-N-(isoquinolin-4-yl)acetamide
UN1
UN1
表記:2-AMINOHEXANEDIOIC ACID
組成式:C6 H11 N O4
SMILES:O=C(O)CCCC(N)C(=O)O
InChi:InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
定義日:2002-06-19
最終更新日:2023-11-03
識別子（ID）:(2S)-2-aminohexanedioic acid
O2R
O2R
表記:2-(2-butoxy-5-chlorophenyl)-N-(4-methylpyridin-3-yl)acetamide
組成式:C18 H21 Cl N2 O2
SMILES:O=C(Nc1cnccc1C)Cc1cc(Cl)ccc1OCCCC
InChi:InChI=1S/C18H21ClN2O2/c1-3-4-9-23-17-6-5-15(19)10-14(17)11-18(22)21-16-12-20-8-7-13(16)2/h5-8,10,12H,3-4,9,11H2,1-2H3,(H,21,22)
定義日:2023-08-16
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(2-butoxy-5-chlorophenyl)-N-(4-methylpyridin-3-yl)acetamide
OIB
OIB
表記:hydroxylated gamma-amino valeroyl moiety
組成式:C6 H13 N O5
SMILES:CO[CH](CN)[CH](O)[CH](O)C(O)=O
InChi:InChI=1S/C6H13NO5/c1-12-3(2-7)4(8)5(9)6(10)11/h3-5,8-9H,2,7H2,1H3,(H,10,11)/t3-,4-,5-/m0/s1
別名:(2~{S},3~{R},4~{S})-5-azanyl-4-methoxy-2,3-bis(oxidanyl)pentanoic acid
定義日:2022-09-08
最終更新日:2023-11-03
公開日:2023-08-16
識別子（ID）:(2~{S},3~{R},4~{S})-5-azanyl-4-methoxy-2,3-bis(oxidanyl)pentanoic acid
SZR
SZR
表記:(2R)-4-cyano-2-hydroxybutanoic acid
組成式:C5 H7 N O3
SMILES:O=C(O)C(O)CCC#N
InChi:InChI=1S/C5H7NO3/c6-3-1-2-4(7)5(8)9/h4,7H,1-2H2,(H,8,9)/t4-/m1/s1
定義日:2022-07-13
最終更新日:2023-11-03
公開日:2023-05-24
識別子（ID）:(2R)-4-cyano-2-hydroxybutanoic acid
OIC
OIC
表記:OCTAHYDROINDOLE-2-CARBOXYLIC ACID
組成式:C9 H15 N O2
SMILES:O=C(O)C1NC2CCCCC2C1
InChi:InChI=1S/C9H15NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h6-8,10H,1-5H2,(H,11,12)/t6-,7-,8-/m0/s1
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:(2S,3aS,7aS)-octahydro-1H-indole-2-carboxylic acid
Q5R
Q5R
表記:4-(4-phenylpiperazine-1-carbonyl)quinolin-2(1H)-one
組成式:C20 H19 N3 O2
SMILES:O=C(C1=CC(=O)Nc2ccccc21)N1CCN(CC1)c1ccccc1
InChi:InChI=1S/C20H19N3O2/c24-19-14-17(16-8-4-5-9-18(16)21-19)20(25)23-12-10-22(11-13-23)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,21,24)
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:4-(4-phenylpiperazine-1-carbonyl)quinolin-2(1H)-one
ZBZ
ZBZ
表記:S-(phenylcarbonyl)-L-cysteine
組成式:C10 H11 N O3 S
SMILES:O=C(O)C(N)CSC(=O)c1ccccc1
InChi:InChI=1S/C10H11NO3S/c11-8(9(12)13)6-15-10(14)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,12,13)/t8-/m0/s1
定義日:2010-02-09
最終更新日:2023-11-03
識別子（ID）:S-benzoyl-L-cysteine
OIE
OIE
表記:2-(4-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide
組成式:C16 H12 Cl N3 O
SMILES:O=C(Cc1cc(Cl)ccn1)Nc1cncc2ccccc21
InChi:InChI=1S/C16H12ClN3O/c17-12-5-6-19-13(7-12)8-16(21)20-15-10-18-9-11-3-1-2-4-14(11)15/h1-7,9-10H,8H2,(H,20,21)
定義日:2023-08-17
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(4-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide
0AR
0AR
表記:N-[N-[(4S)-4-azanyl-5-hydroxy-5-oxo-pentyl]carbamimidoyl]ethanamide
組成式:C8 H16 N4 O3
SMILES:O=C(O)C(N)CCCNC(=[N@H])NC(=O)C
InChi:InChI=1S/C8H16N4O3/c1-5(13)12-8(10)11-4-2-3-6(9)7(14)15/h6H,2-4,9H2,1H3,(H,14,15)(H3,10,11,12,13)/t6-/m0/s1
定義日:2009-07-10
最終更新日:2023-11-03
識別子（ID）:N~5~-(N-acetylcarbamimidoyl)-L-ornithine
KFB
KFB
表記:5-Aminovaleric Acid
組成式:C5 H11 N O2
SMILES:NCCCCC(O)=O
InChi:InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)
別名:5-aminopentanoic acid
定義日:2019-05-17
最終更新日:2023-11-03
公開日:2019-10-23
識別子（ID）:5-azanylpentanoic acid

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