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665
665
Name:(3S)-N-(3-BROMOPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE
Formula:C17 H21 Br N2 O2
SMILES:Brc1cccc(c1)NC(=O)C3CC(=O)N(C2CCCCC2)C3
InChi:InChI=1S/C17H21BrN2O2/c18-13-5-4-6-14(10-13)19-17(22)12-9-16(21)20(11-12)15-7-2-1-3-8-15/h4-6,10,12,15H,1-3,7-9,11H2,(H,19,22)/t12-/m0/s1
Definition date:2006-06-14
Last modified:2011-06-04
Identifier:(3S)-N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
PP7
PP7
Name:METHYL CYCLO[(2S)-2-[[(1R)-1-(N-(L-N-(3-METHYLBUTANOYL)VALYL-L-ASPARTYL)AMINO)-3-METHYLBUTYL]HYDROXYPHOSPHINYLOXY]-3-(3-AMINOMETHYL)PHENYLPROPANOATE
Formula:C30 H47 N4 O9 P
SMILES:O=C(NC(C(=O)NC2C(=O)NC(CC(C)C)P(=O)(O)OC(C(=O)OC)Cc1cc(ccc1)CNC(=O)C2)C(C)C)CC(C)C
InChi:InChI=1S/C30H47N4O9P/c1-17(2)11-25(36)33-27(19(5)6)29(38)32-22-15-24(35)31-16-21-10-8-9-20(13-21)14-23(30(39)42-7)43-44(40,41)26(12-18(3)4)34-28(22)37/h8-10,13,17-19,22-23,26-27H,11-12,14-16H2,1-7H3,(H,31,35)(H,32,38)(H,33,36)(H,34,37)(H,40,41)/t22-,23-,26+,27-/m0/s1
Definition date:1999-08-23
Last modified:2011-06-04
Identifier:methyl (6S,9R,10R,12S)-10-hydroxy-6-{[N-(3-methylbutanoyl)-L-valyl]amino}-9-(2-methylpropyl)-4,7-dioxo-11-oxa-3,8-diaza-10-phosphabicyclo[12.3.1]octadeca-1(18),14,16-triene-12-carboxylate 10-oxide
PP8
PP8
Name:2-[(1R)-1-(N-(3-METHYLBUTANOYL)-L-VALYL-L-ASPARAGINYL)-AMINO)-3-METHYLBUTYL]HYDROXYPHOSPHINYLOXY]-3-PHENYLPROPANOIC ACID METHYLESTER
Formula:C29 H47 N4 O9 P
SMILES:O=C(NC(C(=O)NC(C(=O)NC(CC(C)C)P(=O)(OC(C(=O)OC)Cc1ccccc1)O)CC(=O)N)C(C)C)CC(C)C
InChi:InChI=1S/C29H47N4O9P/c1-17(2)13-24(35)32-26(19(5)6)28(37)31-21(16-23(30)34)27(36)33-25(14-18(3)4)43(39,40)42-22(29(38)41-7)15-20-11-9-8-10-12-20/h8-12,17-19,21-22,25-26H,13-16H2,1-7H3,(H2,30,34)(H,31,37)(H,32,35)(H,33,36)(H,39,40)/t21-,22-,25+,26-/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:N-(3-methylbutanoyl)-L-valyl-N~1~-{(1R)-1-[(S)-[(1S)-1-benzyl-2-methoxy-2-oxoethoxy](hydroxy)phosphoryl]-3-methylbutyl}-L-aspartamide
PPH
PPH
Name:[(1R)-1-amino-2-phenylethyl]phosphonic acid
Formula:C8 H12 N O3 P
SMILES:O=P(O)(O)C(N)Cc1ccccc1
InChi:InChI=1S/C8H12NO3P/c9-8(13(10,11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,9H2,(H2,10,11,12)/t8-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:[(1R)-1-amino-2-phenylethyl]phosphonic acid
PPS
PPS
Name:3'-PHOSPHATE-ADENOSINE-5'-PHOSPHATE SULFATE
Formula:C10 H15 N5 O13 P2 S
SMILES:O=S(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O
InChi:InChI=1S/C10H15N5O13P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)/t4-,6-,7-,10-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:5'-O-[(R)-hydroxy(sulfooxy)phosphoryl]adenosine 3'-(dihydrogen phosphate)
PPU
PPU
Name:PUROMYCIN-5'-MONOPHOSPHATE
Formula:C22 H30 N7 O8 P
SMILES:O=P(O)(O)OCC4OC(n2cnc1c2ncnc1N(C)C)C(O)C4NC(=O)C(N)Cc3ccc(OC)cc3
InChi:InChI=1S/C22H30N7O8P/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(30)16(15(37-22)9-36-38(32,33)34)27-21(31)14(23)8-12-4-6-13(35-3)7-5-12/h4-7,10-11,14-16,18,22,30H,8-9,23H2,1-3H3,(H,27,31)(H2,32,33,34)/t14-,15+,16+,18+,22+/m0/s1
Definition date:2000-07-31
Last modified:2011-06-04
Identifier:3'-deoxy-N,N-dimethyl-3'-[(O-methyl-L-tyrosyl)amino]adenosine 5'-(dihydrogen phosphate)
PPW
PPW
Name:7-DEAZA-8-AZA-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE
Formula:C10 H14 N5 O7 P
SMILES:O=C1c2cnn(c2N=C(N)N1)C3OC(C(O)C3)COP(=O)(O)O
InChi:InChI=1S/C10H14N5O7P/c11-10-13-8-4(9(17)14-10)2-12-15(8)7-1-5(16)6(22-7)3-21-23(18,19)20/h2,5-7,16H,1,3H2,(H2,18,19,20)(H3,11,13,14,17)/t5-,6+,7+/m0/s1
Definition date:2005-03-07
Last modified:2011-06-04
Identifier:6-amino-1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
PPX
PPX
Name:[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-4-YLAMINO)-ETHYL]-AMINE
Formula:C21 H27 N5 O2
SMILES:O=C(NCCNc1ccncc1)C3N(C(=O)C(N)Cc2ccccc2)CCC3
InChi:InChI=1S/C21H27N5O2/c22-18(15-16-5-2-1-3-6-16)21(28)26-14-4-7-19(26)20(27)25-13-12-24-17-8-10-23-11-9-17/h1-3,5-6,8-11,18-19H,4,7,12-15,22H2,(H,23,24)(H,25,27)/t18-,19+/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:D-phenylalanyl-N-[2-(pyridin-4-ylamino)ethyl]-L-prolinamide
PPY
PPY
Name:3-PHENYLPYRUVIC ACID
Formula:C9 H8 O3
SMILES:O=C(C(=O)O)Cc1ccccc1
InChi:InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:2-oxo-3-phenylpropanoic acid
PPZ
PPZ
Name:2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-ETHANOL
Formula:C11 H11 N5 O
SMILES:OCCNc3ncnc2c3nc1ccccn12
InChi:InChI=1S/C11H11N5O/c17-6-4-12-10-9-11(14-7-13-10)16-5-2-1-3-8(16)15-9/h1-3,5,7,17H,4,6H2,(H,12,13,14)
Definition date:2001-03-06
Last modified:2011-06-04
Identifier:2-(pyrido[1,2-e]purin-4-ylamino)ethanol
PQ1
PQ1
Name:PHOSPHORIC ACID MONO-[5-(2-AMINO-5-AMINOMETHYL-4-OXO-3,5-DIHYDRO-4H-PYRIDO[2,3-D]PYRIMIDIN-8-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2-YLMETHYL] ESTER
Formula:C12 H18 N5 O8 P
SMILES:O=C1c2c(N=C(N)N1)n(cc2CN)C3OC(C(O)C3O)COP(=O)(O)O
InChi:InChI=1S/C12H18N5O8P/c13-1-4-2-17(9-6(4)10(20)16-12(14)15-9)11-8(19)7(18)5(25-11)3-24-26(21,22)23/h2,5,7-8,11,18-19H,1,3,13H2,(H2,21,22,23)(H3,14,15,16,20)/t5-,7-,8-,11-/m1/s1
Definition date:2003-08-05
Last modified:2011-06-04
Identifier:2-amino-5-(aminomethyl)-7-(5-O-phosphono-beta-D-ribofuranosyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
677
677
Name:(2R,3R)-7-(methylsulfonyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine
Formula:C18 H16 F3 N3 O2 S
SMILES:O=S(=O)(c2cc1nc4n(c1cc2)CC(N)C(c3cc(F)c(F)cc3F)C4)C
InChi:InChI=1S/C18H16F3N3O2S/c1-27(25,26)9-2-3-17-16(4-9)23-18-6-11(15(22)8-24(17)18)10-5-13(20)14(21)7-12(10)19/h2-5,7,11,15H,6,8,22H2,1H3/t11-,15+/m1/s1
Definition date:2009-05-05
Last modified:2011-06-04
Identifier:(2R,3R)-7-(methylsulfonyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine
PQA
PQA
Name:[5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE
Formula:C21 H21 F N4 O2
SMILES:Fc1ccc(cc1)n2ncc(c2N)C(=O)c4cc(OC3CCNCC3)ccc4
InChi:InChI=1S/C21H21FN4O2/c22-15-4-6-16(7-5-15)26-21(23)19(13-25-26)20(27)14-2-1-3-18(12-14)28-17-8-10-24-11-9-17/h1-7,12-13,17,24H,8-11,23H2
Definition date:2005-10-21
Last modified:2011-06-04
Identifier:[5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl][3-(piperidin-4-yloxy)phenyl]methanone
PQB
PQB
Name:[5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE
Formula:C19 H18 F N3 O4
SMILES:Fc3ccc(n1ncc(c1N)C(=O)c2cccc(OCC(O)CO)c2)cc3
InChi:InChI=1S/C19H18FN3O4/c20-13-4-6-14(7-5-13)23-19(21)17(9-22-23)18(26)12-2-1-3-16(8-12)27-11-15(25)10-24/h1-9,15,24-25H,10-11,21H2/t15-/m0/s1
Definition date:2005-10-24
Last modified:2011-06-04
Identifier:[5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl](3-{[(2S)-2,3-dihydroxypropyl]oxy}phenyl)methanone
PQQ
PQQ
Name:PYRROLOQUINOLINE QUINONE
Formula:C14 H6 N2 O8
SMILES:O=C(O)c1c3c(nc(C(=O)O)c1)C(=O)C(=O)c2cc(C(=O)O)nc23
InChi:InChI=1S/C14H6N2O8/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18/h1-2,15H,(H,19,20)(H,21,22)(H,23,24)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:4,5-dioxo-4,5-dihydro-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid
PRB
PRB
Name:13-ACETYLPHORBOL
Formula:C22 H30 O7
SMILES:O=C1C(=CC2C3(O)C(C)C(O)C4(OC(=O)C)C(C3C=C(CO)CC12O)C4(C)C)C
InChi:InChI=1S/C22H30O7/c1-10-6-15-20(27,17(10)25)8-13(9-23)7-14-16-19(4,5)22(16,29-12(3)24)18(26)11(2)21(14,15)28/h6-7,11,14-16,18,23,26-28H,8-9H2,1-5H3/t11-,14+,15-,16-,18-,20-,21-,22-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b,9-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl acetate
PRE
PRE
Name:PREPHENIC ACID
Formula:C10 H10 O6
SMILES:O=C(C(=O)O)CC1(C=CC(O)C=C1)C(=O)O
InChi:InChI=1S/C10H10O6/c11-6-1-3-10(4-2-6,9(15)16)5-7(12)8(13)14/h1-4,6,11H,5H2,(H,13,14)(H,15,16)/t6-,10+
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:cis-1-(2-carboxy-2-oxoethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid
68H
68H
Name:SALBUTAMOL
Formula:C13 H21 N O3
SMILES:CC(C)(C)NC[CH](O)c1ccc(O)c(CO)c1
InChi:InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/t12-/m0/s1
Definition date:2010-11-30
Last modified:2011-06-04
Identifier:4-[(1R)-2-(tert-butylamino)-1-hydroxy-ethyl]-2-(hydroxymethyl)phenol
PRH
PRH
Name:6-HYDROXY-1,6-DIHYDRO PURINE NUCLEOSIDE
Formula:C10 H15 N4 O5
SMILES:OC1c2[nH+]cn(c2N=CN1)C3OC(C(O)C3O)CO
InChi:InChI=1S/C10H14N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,9-10,15-18H,1H2,(H,11,12)/p+1/t4-,6-,7-,9+,10-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(6S)-6-hydroxy-9-beta-D-ribofuranosyl-6,9-dihydro-1H-purin-7-ium
PRL
PRL
Name:PROFLAVIN
Formula:C13 H11 N3
SMILES:n1c3c(cc2c1cc(N)cc2)ccc(c3)N
InChi:InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:acridine-3,6-diamine
PRN
PRN
Name:PURINE 2'-DEOXYRIBO-5'-MONOPHOSPHATE
Formula:C10 H13 N4 O6 P
SMILES:O=P(O)(O)OCC3OC(n2cnc1cncnc12)CC3O
InChi:InChI=1S/C10H13N4O6P/c15-7-1-9(20-8(7)3-19-21(16,17)18)14-5-13-6-2-11-4-12-10(6)14/h2,4-5,7-9,15H,1,3H2,(H2,16,17,18)/t7-,8+,9+/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-9H-purine
PS1
PS1
Name:1,2-DIDECANOYL-SN-GLYCERO-3-[PHOSPHO-L-SERINE]
Formula:C26 H49 N O10 P
SMILES:O=C(OCC(OC(=O)CCCCCCCCC)COP([O-])(=O)OCC(N)C(=O)O)CCCCCCCCC
InChi:InChI=1S/C26H50NO10P/c1-3-5-7-9-11-13-15-17-24(28)34-19-22(20-35-38(32,33)36-21-23(27)26(30)31)37-25(29)18-16-14-12-10-8-6-4-2/h22-23H,3-21,27H2,1-2H3,(H,30,31)(H,32,33)/p-1/t22-,23+/m1/s1
Definition date:2004-08-02
Last modified:2011-06-04
Identifier:O-({[(2R)-2,3-bis(decanoyloxy)propyl]oxy}phosphinato)-L-serine
694
694
Name:4-BROMO-3-(CARBOXYMETHOXY)-5-(4-HYDROXYPHENYL)THIOPHENE-2-CARBOXYLIC ACID
Formula:C13 H9 Br O6 S
SMILES:O=C(O)c2sc(c1ccc(O)cc1)c(Br)c2OCC(=O)O
InChi:InChI=1S/C13H9BrO6S/c14-9-10(20-5-8(16)17)12(13(18)19)21-11(9)6-1-3-7(15)4-2-6/h1-4,15H,5H2,(H,16,17)(H,18,19)
Definition date:2006-05-30
Last modified:2011-06-04
Identifier:4-bromo-3-(carboxymethoxy)-5-(4-hydroxyphenyl)thiophene-2-carboxylic acid
PS4
PS4
Name:N-({(2S)-1-[(3R)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl}methyl)-3-(methylsulfonyl)benzamide
Formula:C23 H28 Cl N3 O4 S
SMILES:O=C(N1CCCC1CNC(=O)c2cccc(c2)S(=O)(=O)C)CC(N)Cc3cccc(Cl)c3
InChi:InChI=1S/C23H28ClN3O4S/c1-32(30,31)21-9-3-6-17(13-21)23(29)26-15-20-8-4-10-27(20)22(28)14-19(25)12-16-5-2-7-18(24)11-16/h2-3,5-7,9,11,13,19-20H,4,8,10,12,14-15,25H2,1H3,(H,26,29)/t19-,20+/m1/s1
Definition date:2009-04-15
Last modified:2011-06-04
Identifier:N-({(2S)-1-[(3R)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl}methyl)-3-(methylsulfonyl)benzamide
PS5
PS5
Name:PENTASULFIDE-SULFUR
Formula:S5
SMILES:[S-]SSS[S-]
InChi:InChI=1S/H2S5/c1-3-5-4-2/h1-2H/p-2
Definition date:2003-09-15
Last modified:2011-06-04
Identifier:pentasulfane-1,5-diide

224931

数据于2024-09-11公开中

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