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P7R
P7R
Name:(4R)-6-chloro-N-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]pyridin-7-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:C17 H15 Cl N4 O3
SMILES:CN1c2c(NC1=O)cncc2NC(=O)C1CCOc2ccc(Cl)cc21
InChi:InChI=1S/C17H15ClN4O3/c1-22-15-12(7-19-8-13(15)21-17(22)24)20-16(23)10-4-5-25-14-3-2-9(18)6-11(10)14/h2-3,6-8,10H,4-5H2,1H3,(H,20,23)(H,21,24)/t10-/m1/s1
Definition date:2023-08-18
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4R)-6-chloro-N-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]pyridin-7-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
4WQ
4WQ
Name:(2S)-2-amino-7,7-dimethyloctanoic acid
Formula:C10 H21 N O2
SMILES:NC(C(=O)O)CCCCC(C)(C)C
InChi:InChI=1S/C10H21NO2/c1-10(2,3)7-5-4-6-8(11)9(12)13/h8H,4-7,11H2,1-3H3,(H,12,13)/t8-/m0/s1
Definition date:2015-06-12
Last modified:2023-11-03
Release date:2015-07-01
Identifier:(2S)-2-amino-7,7-dimethyloctanoic acid
P9O
P9O
Name:(4R)-6-chloro-N-(5,6,7,8-tetrahydro-2,6-naphthyridin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:C18 H18 Cl N3 O2
SMILES:Clc1ccc2OCCC(c2c1)C(=O)Nc1cncc2CCNCc21
InChi:InChI=1S/C18H18ClN3O2/c19-12-1-2-17-14(7-12)13(4-6-24-17)18(23)22-16-10-21-8-11-3-5-20-9-15(11)16/h1-2,7-8,10,13,20H,3-6,9H2,(H,22,23)/t13-/m1/s1
Definition date:2023-08-18
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4R)-6-chloro-N-(5,6,7,8-tetrahydro-2,6-naphthyridin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
P9S
P9S
Name:dihydroxypropylcysteine
Formula:C6 H13 N O4 S
SMILES:N[CH](CSC[CH](O)CO)C(O)=O
InChi:InChI=1S/C6H13NO4S/c7-5(6(10)11)3-12-2-4(9)1-8/h4-5,8-9H,1-3,7H2,(H,10,11)/t4-,5+/m1/s1
Definition date:2016-07-26
Last modified:2023-11-03
Release date:2017-03-22
Identifier:(2~{R})-2-azanyl-3-[(2~{R})-2,3-bis(oxidanyl)propyl]sulfanyl-propanoic acid
PAC
PAC
Name:2-PHENYLACETIC ACID
Formula:C8 H8 O2
SMILES:O=C(O)Cc1ccccc1
InChi:InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
Definition date:1999-07-08
Last modified:2023-11-03
Identifier:phenylacetic acid
PAQ
PAQ
Name:2-OXY-4-HYDROXY-5-(2-HYDRAZINOPYRIDINE)PHENYLALANINE
Formula:C14 H16 N4 O4
SMILES:O=C(O)C(N)CC2C=C(NNc1ncccc1)C(O)=CC2=O
InChi:InChI=1S/C14H16N4O4/c15-9(14(21)22)5-8-6-10(12(20)7-11(8)19)17-18-13-3-1-2-4-16-13/h1-4,6-9,17,20H,5,15H2,(H,16,18)(H,21,22)/t8-,9+/m1/s1
Definition date:1999-07-08
Last modified:2023-11-03
Identifier:3-[(1R)-4-hydroxy-6-oxo-3-(2-pyridin-2-ylhydrazino)cyclohexa-2,4-dien-1-yl]-L-alanine
PAT
PAT
Name:ALPHA-PHOSPHONO-TRYPTOPHAN
Formula:C11 H13 N2 O5 P
SMILES:O=C(O)C(N)(P(=O)(O)O)Cc2c1ccccc1nc2
InChi:InChI=1S/C11H13N2O5P/c12-11(10(14)15,19(16,17)18)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6,13H,5,12H2,(H,14,15)(H2,16,17,18)
Definition date:2001-03-12
Last modified:2023-11-03
Identifier:alpha-phosphono-L-tryptophan
PBE
PBE
Name:1,1-DIMETHYL-PROLINIUM
Formula:C7 H14 N O2
SMILES:O=C(O)C1[N+](C)(C)CCC1
InChi:InChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/p+1/t6-/m0/s1
Synonyms:PROLINE BETAINE
Definition date:2000-04-20
Last modified:2023-11-03
Identifier:(2S)-2-carboxy-1,1-dimethylpyrrolidinium
PBF
PBF
Name:PARA-(BENZOYL)-PHENYLALANINE
Formula:C16 H15 N O3
SMILES:O=C(O)C(N)Cc1ccc(cc1)C(=O)c2ccccc2
InChi:InChI=1S/C16H15NO3/c17-14(16(19)20)10-11-6-8-13(9-7-11)15(18)12-4-2-1-3-5-12/h1-9,14H,10,17H2,(H,19,20)/t14-/m0/s1
Definition date:2000-02-22
Last modified:2023-11-03
Identifier:4-(phenylcarbonyl)-L-phenylalanine
PCA
PCA
Name:PYROGLUTAMIC ACID
Formula:C5 H7 N O3
SMILES:O=C(O)C1NC(=O)CC1
InChi:InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1
Definition date:1999-07-08
Last modified:2023-11-03
Identifier:5-oxo-L-proline
PDF
PDF
Name:4,4-difluoro-L-proline
Formula:C5 H7 F2 N O2
SMILES:O=C(O)C1NCC(F)(F)C1
InChi:InChI=1S/C5H7F2NO2/c6-5(7)1-3(4(9)10)8-2-5/h3,8H,1-2H2,(H,9,10)/t3-/m0/s1
Definition date:2008-10-07
Last modified:2023-11-03
Release date:2015-06-17
Identifier:4,4-difluoro-L-proline
PDW
PDW
Name:methyl D-prolinate
Formula: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-/m1/s1
Definition date:2011-11-30
Last modified:2023-11-03
Release date:2012-11-16
Identifier:methyl D-prolinate
51T
51T
Name:2,3,6-trifluoro-L-tyrosine
Formula:C9 H8 F3 N O3
SMILES:NC(Cc1c(cc(c(c1F)F)O)F)C(=O)O
InChi:InChI=1S/C9H8F3NO3/c10-4-2-6(14)8(12)7(11)3(4)1-5(13)9(15)16/h2,5,14H,1,13H2,(H,15,16)/t5-/m0/s1
Definition date:2015-07-13
Last modified:2023-11-03
Release date:2016-06-22
Identifier:2,3,6-trifluoro-L-tyrosine
PEA
PEA
Name:2-PHENYLETHYLAMINE
Formula:C8 H12 N
SMILES:c1ccccc1CC[NH3+]
InChi:InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2/p+1
Definition date:1999-07-08
Last modified:2023-11-03
Identifier:2-phenylethanaminium
PF5
PF5
Name:2,3,4,5,6-PENTAFLUORO-L-PHENYLALANINE
Formula:C9 H6 F5 N O2
SMILES:Fc1c(c(F)c(F)c(F)c1F)CC(C(=O)O)N
InChi:InChI=1S/C9H6F5NO2/c10-4-2(1-3(15)9(16)17)5(11)7(13)8(14)6(4)12/h3H,1,15H2,(H,16,17)/t3-/m0/s1
Synonyms:FLUORINATED PHENYLALANINE
Definition date:2006-09-12
Last modified:2023-11-03
Identifier:2,3,4,5,6-pentafluoro-L-phenylalanine
PFF
PFF
Name:4-FLUORO-L-PHENYLALANINE
Formula:C9 H10 F N O2
SMILES:Fc1ccc(cc1)CC(C(=O)O)N
InChi:InChI=1S/C9H10FNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
Definition date:2003-07-30
Last modified:2023-11-03
Identifier:4-fluoro-L-phenylalanine
PFX
PFX
Name:2-[2-(2-azanylethoxy)ethoxy]ethanoic acid
Formula:C6 H13 N O4
SMILES:NCCOCCOCC(O)=O
InChi:InChI=1S/C6H13NO4/c7-1-2-10-3-4-11-5-6(8)9/h1-5,7H2,(H,8,9)
Definition date:2008-10-17
Last modified:2023-11-03
Identifier:2-[2-(2-azanylethoxy)ethoxy]ethanoic acid
PG9
PG9
Name:D-PHENYLGLYCINE
Formula:C8 H9 N O2
SMILES:O=C(O)C(N)c1ccccc1
InChi:InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)/t7-/m1/s1
Definition date:2005-10-07
Last modified:2023-11-03
Identifier:(2R)-amino(phenyl)ethanoic acid
PH6
PH6
Name:(4S)-4-cyclohexyl-L-proline
Formula:C11 H19 N O2
SMILES:O=C(O)C2NCC(C1CCCCC1)C2
InChi:InChI=1S/C11H19NO2/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8/h8-10,12H,1-7H2,(H,13,14)/t9-,10+/m1/s1
Definition date:2015-02-06
Last modified:2023-11-03
Release date:2015-06-03
Identifier:(4S)-4-cyclohexyl-L-proline
PH8
PH8
Name:5-phenyl-L-norvaline
Formula:C11 H15 N O2
SMILES:C(O)(=O)C(N)CCCc1ccccc1
InChi:InChI=1S/C11H15NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,12H2,(H,13,14)/t10-/m0/s1
Definition date:2015-03-10
Last modified:2023-11-03
Release date:2015-04-15
Identifier:5-phenyl-L-norvaline
PHA
PHA
Name:PHENYLALANINAL
Formula:C9 H11 N O
SMILES:O=CC(N)Cc1ccccc1
InChi:InChI=1S/C9H11NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,7,9H,6,10H2/t9-/m0/s1
Definition date:1999-07-08
Last modified:2023-11-03
Identifier:(2S)-2-amino-3-phenylpropanal
PHD
PHD
Name:ASPARTYL PHOSPHATE
Formula:C4 H8 N O7 P
SMILES:O=C(OP(=O)(O)O)CC(C(=O)O)N
InChi:InChI=1S/C4H8NO7P/c5-2(4(7)8)1-3(6)12-13(9,10)11/h2H,1,5H2,(H,7,8)(H2,9,10,11)/t2-/m0/s1
Definition date:1999-10-06
Last modified:2023-11-03
Identifier:4-oxo-O-phosphono-L-homoserine
PHE
PHE
Name:PHENYLALANINE
Formula:C9 H11 N O2
SMILES:O=C(O)C(N)Cc1ccccc1
InChi:InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
Definition date:1999-07-08
Last modified:2023-11-03
Identifier:L-phenylalanine
PHI
PHI
Name:IODO-PHENYLALANINE
Formula:C9 H10 I N O2
SMILES:Ic1ccc(cc1)CC(C(=O)O)N
InChi:InChI=1S/C9H10INO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
Definition date:1999-07-08
Last modified:2023-11-03
Identifier:4-iodo-L-phenylalanine
PHL
PHL
Name:L-PHENYLALANINOL
Formula:C9 H13 N O
SMILES:OCC(N)Cc1ccccc1
InChi:InChI=1S/C9H13NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m0/s1
Synonyms:bound form of Phenylalaninal
Definition date:1999-07-08
Last modified:2023-11-03
Identifier:(2S)-2-amino-3-phenylpropan-1-ol

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数据于2024-09-11公开中

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