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QCS
QCS
表記:S-carbamoyl-L-cysteine
組成式:C4 H8 N2 O3 S
SMILES:O=C(SCC(C(=O)O)N)N
InChi:InChI=1S/C4H8N2O3S/c5-2(3(7)8)1-10-4(6)9/h2H,1,5H2,(H2,6,9)(H,7,8)/t2-/m0/s1
定義日:2013-10-21
最終更新日:2023-11-03
公開日:2013-12-18
識別子（ID）:S-carbamoyl-L-cysteine
PJ6
PJ6
表記:(4S)-6-chloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C20 H17 Cl N2 O3
SMILES:Clc1ccc2OCCC(OC)(c2c1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C20H17ClN2O3/c1-25-20(8-9-26-18-7-6-14(21)10-16(18)20)19(24)23-17-12-22-11-13-4-2-3-5-15(13)17/h2-7,10-12H,8-9H2,1H3,(H,23,24)/t20-/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）:(4S)-6-chloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide
PJE
PJE
表記:(E,4S)-4-azanyl-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoic acid
組成式:C9 H14 N2 O3
SMILES:N[CH](C[CH]1CCNC1=O)C=CC(O)=O
InChi:InChI=1S/C9H14N2O3/c10-7(1-2-8(12)13)5-6-3-4-11-9(6)14/h1-2,6-7H,3-5,10H2,(H,11,14)(H,12,13)/b2-1+/t6-,7+/m0/s1
定義日:2015-11-24
最終更新日:2023-11-03
公開日:2015-12-02
識別子（ID）:(E,4S)-4-azanyl-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoic acid
PJJ
PJJ
表記:(2R,4S,5S)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid
組成式:C19 H23 N O3
SMILES:O=C(O)C(Cc1ccccc1)CC(O)C(N)Cc2ccccc2
InChi:InChI=1S/C19H23NO3/c20-17(12-15-9-5-2-6-10-15)18(21)13-16(19(22)23)11-14-7-3-1-4-8-14/h1-10,16-18,21H,11-13,20H2,(H,22,23)/t16-,17+,18+/m1/s1
定義日:2010-08-20
最終更新日:2023-11-03
識別子（ID）:(2R,4S,5S)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid
PJX
PJX
表記:(4R)-6-chloro-N-(isoquinolin-4-yl)-1-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
組成式:C20 H18 Cl N3 O
SMILES:Clc1ccc2c(c1)C(CCN2C)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C20H18ClN3O/c1-24-9-8-16(17-10-14(21)6-7-19(17)24)20(25)23-18-12-22-11-13-4-2-3-5-15(13)18/h2-7,10-12,16H,8-9H2,1H3,(H,23,25)/t16-/m1/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）:(4R)-6-chloro-N-(isoquinolin-4-yl)-1-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
PKW
PKW
表記:(4R)-6-chloro-N-(1-methyl-1H-imidazo[4,5-c]pyridin-7-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C17 H15 Cl N4 O2
SMILES:Cn1cnc2cncc(NC(=O)C3CCOc4ccc(Cl)cc43)c12
InChi:InChI=1S/C17H15ClN4O2/c1-22-9-20-13-7-19-8-14(16(13)22)21-17(23)11-4-5-24-15-3-2-10(18)6-12(11)15/h2-3,6-9,11H,4-5H2,1H3,(H,21,23)/t11-/m1/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）:(4R)-6-chloro-N-(1-methyl-1H-imidazo[4,5-c]pyridin-7-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
PLF
PLF
表記:2-[5-(1-AMINO-2-METHYL-BUTYL)-[1,2,3]TRIAZOL-1-YL]-PROPIONIC ACID
組成式:C9 H14 N4 O2
SMILES:O=C(O)C(n1nnc(c1)C2NCCC2)C
InChi:InChI=1S/C9H14N4O2/c1-6(9(14)15)13-5-8(11-12-13)7-3-2-4-10-7/h5-7,10H,2-4H2,1H3,(H,14,15)/t6-,7-/m0/s1
定義日:2011-12-08
最終更新日:2023-11-03
識別子（ID）:(2S)-2-{4-[(2S)-pyrrolidin-2-yl]-1H-1,2,3-triazol-1-yl}propanoic acid
PLJ
PLJ
表記:methyl L-prolinate
組成式:C6 H11 N O2
SMILES:O=C(OC)C1NCCC1
InChi:InChI=1S/C6H11NO2/c1-9-6(8)5-3-2-4-7-5/h5,7H,2-4H2,1H3/t5-/m0/s1
定義日:2011-12-12
最終更新日:2023-11-03
公開日:2012-11-16
識別子（ID）:methyl L-prolinate
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:2023-11-03
識別子（ID）:(2S)-2-{5-[(1S,2S)-1-amino-2-methylbutyl]-1H-1,2,3-triazol-1-yl}propanoic acid
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:2023-11-03
識別子（ID）:4-(phosphonomethyl)-L-phenylalanine
POK
POK
表記:2-[[~{N}-[(4~{S})-4-azanyl-5-oxidanylidene-pentyl]carbamimidoyl]amino]ethanoic acid
組成式:C8 H16 N4 O4
SMILES:N[CH](CCCNC(=N)NCC(O)=O)C(O)=O
InChi:InChI=1S/C8H16N4O4/c9-5(7(15)16)2-1-3-11-8(10)12-4-6(13)14/h5H,1-4,9H2,(H,13,14)(H,15,16)(H3,10,11,12)/t5-/m0/s1
定義日:2020-04-27
最終更新日:2023-11-03
公開日:2020-06-03
識別子（ID）:(2~{S})-2-azanyl-5-[[~{N}-(2-hydroxy-2-oxoethyl)carbamimidoyl]amino]pentanoic acid
POM
POM
表記:CIS-5-METHYL-4-OXOPROLINE
組成式:C6 H9 N O3
SMILES:O=C1C(NC(C(=O)O)C1)C
InChi:InChI=1S/C6H9NO3/c1-3-5(8)2-4(7-3)6(9)10/h3-4,7H,2H2,1H3,(H,9,10)/t3-,4-/m0/s1
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:(5S)-5-methyl-4-oxo-L-proline
PPI
PPI
表記:PROPANOIC ACID
組成式:C3 H6 O2
SMILES:O=C(O)CC
InChi:InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:propanoic acid
PPN
PPN
表記:PARA-NITROPHENYLALANINE
組成式:C9 H10 N2 O4
SMILES:[O-][N+](=O)c1ccc(cc1)CC(N)C(=O)O
InChi:InChI=1S/C9H10N2O4/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m0/s1
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:4-nitro-L-phenylalanine
PQ4
PQ4
表記:(2Z)-2-amino-3-(4-hydroxyphenyl)prop-2-enoic acid
組成式:C9 H9 N O3
SMILES:NC(=C/c1ccc(O)cc1)C(O)=O
InChi:InChI=1S/C9H9NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-5,11H,10H2,(H,12,13)/b8-5-
定義日:2019-08-16
最終更新日:2023-11-03
公開日:2020-04-22
識別子（ID）:(2Z)-2-amino-3-(4-hydroxyphenyl)prop-2-enoic acid
PQ6
PQ6
表記:(4R)-4-(aminomethyl)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C20 H18 Cl N3 O2
SMILES:Clc1ccc2OCCC(CN)(c2c1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C20H18ClN3O2/c21-14-5-6-18-16(9-14)20(12-22,7-8-26-18)19(25)24-17-11-23-10-13-3-1-2-4-15(13)17/h1-6,9-11H,7-8,12,22H2,(H,24,25)/t20-/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）:(4R)-4-(aminomethyl)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
PQG
PQG
表記:cis-1-amino-4-phenylcyclohexane-1-carboxylic acid
組成式:C13 H17 N O2
SMILES:c1(ccccc1)C2CCC(N)(C(O)=O)CC2
InChi:InChI=1S/C13H17NO2/c14-13(12(15)16)8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,11H,6-9,14H2,(H,15,16)/t11-,13+
定義日:2019-08-20
最終更新日:2023-11-03
公開日:2020-02-05
識別子（ID）:cis-1-amino-4-phenylcyclohexane-1-carboxylic acid
PRA
PRA
表記:3-PHENYLPROPYLAMINE
組成式:C9 H13 N
SMILES:C(CCc1ccccc1)N
InChi:InChI=1S/C9H13N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:3-phenylpropan-1-amine
PRJ
PRJ
表記:(2S,3aS,6R,7aS)-6-hydroxyoctahydro-1H-indole-2-carboxylic acid
組成式:C9 H15 N O3
SMILES:O=C(O)C1NC2CC(O)CCC2C1
InChi:InChI=1S/C9H15NO3/c11-6-2-1-5-3-8(9(12)13)10-7(5)4-6/h5-8,10-11H,1-4H2,(H,12,13)/t5-,6+,7-,8-/m0/s1
定義日:2010-11-05
最終更新日:2023-11-03
識別子（ID）:(2S,3aS,6R,7aS)-6-hydroxyoctahydro-1H-indole-2-carboxylic acid
PRK
PRK
表記:N~6~-propanoyl-L-lysine
組成式:C9 H18 N2 O3
SMILES:O=C(O)C(N)CCCCNC(=O)CC
InChi:InChI=1S/C9H18N2O3/c1-2-8(12)11-6-4-3-5-7(10)9(13)14/h7H,2-6,10H2,1H3,(H,11,12)(H,13,14)/t7-/m0/s1
別名:N(6)-Propionyllysine
定義日:2010-05-12
最終更新日:2023-11-03
識別子（ID）:N~6~-propanoyl-L-lysine
PRO
PRO
表記:PROLINE
組成式:C5 H9 N O2
SMILES:O=C(O)C1NCCC1
InChi:InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:L-proline
PRQ
PRQ
表記:(3S)-3-amino-3-(2-nitrophenyl)propanoic acid
組成式:C9 H10 N2 O4
SMILES:[O-][N+](=O)c1ccccc1C(N)CC(=O)O
InChi:InChI=1S/C9H10N2O4/c10-7(5-9(12)13)6-3-1-2-4-8(6)11(14)15/h1-4,7H,5,10H2,(H,12,13)/t7-/m0/s1
定義日:2007-10-17
最終更新日:2023-11-03
識別子（ID）:(3S)-3-amino-3-(2-nitrophenyl)propanoic acid
PRR
PRR
表記:3-(METHYL-PYRIDINIUM)ALANINE
組成式:C9 H13 N2 O2
SMILES:O=C(O)C(N)Cc1ccc[n+](c1)C
InChi:InChI=1S/C9H12N2O2/c1-11-4-2-3-7(6-11)5-8(10)9(12)13/h2-4,6,8H,5,10H2,1H3/p+1/t8-/m0/s1
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:3-(1-methylpyridinium-3-yl)-L-alanine
PRS
PRS
表記:THIOPROLINE
組成式:C4 H7 N O2 S
SMILES:O=C(O)C1NCSC1
InChi:InChI=1S/C4H7NO2S/c6-4(7)3-1-8-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:(4R)-1,3-thiazolidine-4-carboxylic acid
PRV
PRV
表記:(2R)-amino(2-nitrophenyl)ethanoic acid
組成式:C8 H8 N2 O4
SMILES:[O-][N+](=O)c1ccccc1C(N)C(=O)O
InChi:InChI=1S/C8H8N2O4/c9-7(8(11)12)5-3-1-2-4-6(5)10(13)14/h1-4,7H,9H2,(H,11,12)/t7-/m1/s1
別名:2-(NITRO)PHENYLGLYCINE
定義日:2010-02-02
最終更新日:2023-11-03
識別子（ID）:(2R)-amino(2-nitrophenyl)ethanoic acid

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