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TPE
TPE
Name:3'-O-ACETYLTHYMIDINE-(5' DIPHOSPHATE PHENYL ESTER)
Formula:C18 H22 N2 O12 P2
SMILES:O=P(O)(Oc1ccccc1)OP(=O)(O)OCC3OC(N2C(=O)NC(=O)C(=C2)C)CC3OC(=O)C
InChi:InChI=1S/C18H22N2O12P2/c1-11-9-20(18(23)19-17(11)22)16-8-14(29-12(2)21)15(30-16)10-28-33(24,25)32-34(26,27)31-13-6-4-3-5-7-13/h3-7,9,14-16H,8,10H2,1-2H3,(H,24,25)(H,26,27)(H,19,22,23)/t14-,15+,16+/m0/s1
Definition date:2000-03-09
Last modified:2011-06-04
Identifier:3'-O-acetyl-5'-O-[(R)-hydroxy{[(S)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]thymidine
TAU
TAU
Name:2-AMINOETHANESULFONIC ACID
Formula:C2 H7 N O3 S
SMILES:O=S(=O)(O)CCN
InChi:InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)
Definition date:2001-12-05
Last modified:2011-06-04
Identifier:2-aminoethanesulfonic acid
TPG
TPG
Name:2,2,7-TRIMETHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE
Formula:C23 H35 N10 O18 P3
SMILES:CN(C)C1=NC2=C(N(C)CN2[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6C(=O)NC(=Nc56)N)[CH](O)[CH]3O)C(=O)N1
InChi:InChI=1S/C23H35N10O18P3/c1-30(2)23-27-17-11(19(39)29-23)31(3)7-33(17)21-15(37)13(35)9(49-21)5-47-53(42,43)51-54(44,45)50-52(40,41)46-4-8-12(34)14(36)20(48-8)32-6-25-10-16(32)26-22(24)28-18(10)38/h6,8-9,12-15,20-21,34-37H,4-5,7H2,1-3H3,(H,40,41)(H,42,43)(H,44,45)(H,27,29,39)(H3,24,26,28,38)/t8-,9-,12-,13-,14-,15-,20-,21-/m1/s1
Definition date:2004-10-01
Last modified:2011-06-04
Identifier:[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(2-dimethylamino-7-methyl-6-oxo-1,8-dihydropurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate
NYP
NYP
Name:N-[(E)-METHYL](PHENYL)-N-[(E)-2-PROPENYLIDENE]METHANAMINIUM
Formula:C11 H18 N
SMILES:C(=[N+](/CC1CC=CCC1)C)C=C
InChi:InChI=1S/C11H18N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h3-5,9,11H,1,6-8,10H2,2H3/q+1/b12-9+/t11-/m1/s1
Definition date:2001-10-26
Last modified:2011-06-04
Identifier:(1S)-cyclohex-3-en-1-yl-N-methyl-N-[(1E)-prop-2-en-1-ylidene]methanaminium
YLY
YLY
Name:(2R)-2-AMINO-6-({[(2S,3R)-3-METHYLPYRROLIDIN-2-YL]CARBONYL}AMINO)HEXANOYL [(2S,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL HYDROGEN (R)-PHOSPHATE
Formula:C22 H35 N8 O9 P
SMILES:O=C(NCCCCC(N)C(=O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C4NCCC4C
InChi:InChI=1S/C22H35N8O9P/c1-11-5-7-25-14(11)20(33)26-6-3-2-4-12(23)22(34)39-40(35,36)37-8-13-16(31)17(32)21(38-13)30-10-29-15-18(24)27-9-28-19(15)30/h9-14,16-17,21,25,31-32H,2-8,23H2,1H3,(H,26,33)(H,35,36)(H2,24,27,28)/t11-,12-,13+,14+,16+,17-,21-/m1/s1
Definition date:2007-06-08
Last modified:2011-06-04
Identifier:(2R)-2-amino-6-({[(2S,3R)-3-methylpyrrolidin-2-yl]carbonyl}amino)hexanoyl [(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl hydrogen (R)-phosphate (non-preferred name)
TPI
TPI
Name:4-CARBAMOYL-4-{[6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-2-CARBONYL]-AMINO}-BUTYRIC ACID
Formula:C17 H17 F2 N2 O7 P
SMILES:O=C(N)C(NC(=O)c1ccc2c(c1)ccc(c2)C(F)(F)P(=O)(O)O)CCC(=O)O
InChi:InChI=1S/C17H17F2N2O7P/c18-17(19,29(26,27)28)12-4-3-9-7-11(2-1-10(9)8-12)16(25)21-13(15(20)24)5-6-14(22)23/h1-4,7-8,13H,5-6H2,(H2,20,24)(H,21,25)(H,22,23)(H2,26,27,28)/t13-/m0/s1
Definition date:1999-08-24
Last modified:2011-06-04
Identifier:N~2~-({6-[difluoro(phosphono)methyl]naphthalen-2-yl}carbonyl)-L-alpha-glutamine
PN1
PN1
Name:(2S,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID
Formula:C16 H19 N3 O4 S
SMILES:O=C(O)C2N3C(=O)C(NC(=O)C(c1ccccc1)N)C3SC2(C)C
InChi:InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10+,11-,14+/m0/s1
Definition date:2003-09-09
Last modified:2011-06-04
Identifier:(2S,5R,6R)-6-{[(2S)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
NYS
NYS
Name:S-{5-[(1R)-2-amino-1-hydroxyethyl]-2,3-dihydroxyphenyl}-L-cysteine
Formula:C11 H16 N2 O5 S
SMILES:O=C(O)C(N)CSc1cc(cc(O)c1O)C(O)CN
InChi:InChI=1S/C11H16N2O5S/c12-3-8(15)5-1-7(14)10(16)9(2-5)19-4-6(13)11(17)18/h1-2,6,8,14-16H,3-4,12-13H2,(H,17,18)/t6-,8-/m0/s1
Definition date:2007-10-08
Last modified:2011-06-04
Identifier:S-{5-[(1R)-2-amino-1-hydroxyethyl]-2,3-dihydroxyphenyl}-L-cysteine
KB2
KB2
Name:(3S)-3-(4-{(1S)-1,2-dimethyl-1-[(quinolin-6-ylmethyl)amino]propyl}-1H-1,2,3-triazol-1-yl)heptan-2-one
Formula:C24 H33 N5 O
SMILES:O=C(C(n1nnc(c1)C(NCc3cc2cccnc2cc3)(C)C(C)C)CCCC)C
InChi:InChI=1S/C24H33N5O/c1-6-7-10-22(18(4)30)29-16-23(27-28-29)24(5,17(2)3)26-15-19-11-12-21-20(14-19)9-8-13-25-21/h8-9,11-14,16-17,22,26H,6-7,10,15H2,1-5H3/t22-,24-/m0/s1
Definition date:2009-09-09
Last modified:2011-06-04
Identifier:(3S)-3-(4-{(2S)-3-methyl-2-[(quinolin-6-ylmethyl)amino]butan-2-yl}-1H-1,2,3-triazol-1-yl)heptan-2-one
PN3
PN3
Name:tert-butyl {(2S)-1-[formyl(hydroxy)amino]-3-phenylpropan-2-yl}carbamate
Formula:C15 H22 N2 O4
SMILES:O=CN(O)CC(NC(=O)OC(C)(C)C)Cc1ccccc1
InChi:InChI=1S/C15H22N2O4/c1-15(2,3)21-14(19)16-13(10-17(20)11-18)9-12-7-5-4-6-8-12/h4-8,11,13,20H,9-10H2,1-3H3,(H,16,19)/t13-/m0/s1
Definition date:2010-11-23
Last modified:2011-06-04
Identifier:tert-butyl {(2S)-1-[formyl(hydroxy)amino]-3-phenylpropan-2-yl}carbamate
VRV
VRV
Name:6-(5-BROMO-2-HYDROXYPHENYL)-2-OXO-4-PHENYL-1,2-DIHYDROPYRIDINE-3-CARBONITRILE
Formula:C18 H11 Br N2 O2
SMILES:N#CC2=C(C=C(c1cc(Br)ccc1O)NC2=O)c3ccccc3
InChi:InChI=1S/C18H11BrN2O2/c19-12-6-7-17(22)14(8-12)16-9-13(11-4-2-1-3-5-11)15(10-20)18(23)21-16/h1-9,22H,(H,21,23)
Definition date:2006-12-20
Last modified:2011-06-04
Identifier:6-(5-bromo-2-hydroxyphenyl)-2-oxo-4-phenyl-1,2-dihydropyridine-3-carbonitrile
TB0
TB0
Name:tert-butyl isocyanide
Formula:C5 H9 N
SMILES:2-isocyano-2-methylpropane
InChi:InChI=1S/C5H9N/c1-5(2,3)6-4/h1-3H3
Definition date:2008-07-14
Last modified:2011-06-04
Identifier:tert-butyl isocyanide
Z59
Z59
Name:(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)butanamide
Formula:C19 H22 N2 O4 S
SMILES:O[CH]([CH](O)C(=O)N1CCC[CH]1c2ccccc2)C(=O)NCc3sccc3
InChi:InChI=1S/C19H22N2O4S/c22-16(18(24)20-12-14-8-5-11-26-14)17(23)19(25)21-10-4-9-15(21)13-6-2-1-3-7-13/h1-3,5-8,11,15-17,22-23H,4,9-10,12H2,(H,20,24)/t15-,16-,17-/m1/s1
Definition date:2009-11-15
Last modified:2011-06-04
Identifier:(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)butanamide
P
P
Name:2'-DEOXY-N1,N2-PROPANO GUANOSINE MONOPHOSPHATE
Formula:C13 H18 N5 O7 P
SMILES:O=C2c3ncn(c3N=C1NCCCN12)C4OC(C(O)C4)COP(=O)(O)O
InChi:InChI=1S/C13H18N5O7P/c19-7-4-9(25-8(7)5-24-26(21,22)23)18-6-15-10-11(18)16-13-14-2-1-3-17(13)12(10)20/h6-9,19H,1-5H2,(H,14,16)(H2,21,22,23)/t7-,8+,9+/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one
VRX
VRX
Name:(2S)-({(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}AMINO)(4-FLUOROPHENYL)ACETIC ACID
Formula:C18 H15 F N2 O4 S
SMILES:O=C(O)C(NC1=NC(=O)C(S1)=Cc2oc(cc2)CC)c3ccc(F)cc3
InChi:InChI=1S/C18H15FN2O4S/c1-2-12-7-8-13(25-12)9-14-16(22)21-18(26-14)20-15(17(23)24)10-3-5-11(19)6-4-10/h3-9,15H,2H2,1H3,(H,23,24)(H,20,21,22)/b14-9-/t15-/m0/s1
Definition date:2006-08-02
Last modified:2011-06-04
Identifier:(2S)-({(5Z)-5-[(5-ethylfuran-2-yl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}amino)(4-fluorophenyl)ethanoic acid
TB2
TB2
Name:(4-tert-butylphenyl)acetaldehyde
Formula:C12 H16 O
SMILES:O=CCc1ccc(cc1)C(C)(C)C
InChi:InChI=1S/C12H16O/c1-12(2,3)11-6-4-10(5-7-11)8-9-13/h4-7,9H,8H2,1-3H3
Definition date:2011-03-16
Last modified:2011-06-04
Identifier:(4-tert-butylphenyl)acetaldehyde
S23
S23
Name:N-{(2S)-3-[(1R)-1-aminoethyl](hydroxy)phosphoryl-2-benzylpropanoyl}-L-phenylalanine
Formula:C21 H27 N2 O5 P
SMILES:O=P(O)(C(N)C)CC(C(=O)NC(C(=O)O)Cc1ccccc1)Cc2ccccc2
InChi:InChI=1S/C21H27N2O5P/c1-15(22)29(27,28)14-18(12-16-8-4-2-5-9-16)20(24)23-19(21(25)26)13-17-10-6-3-7-11-17/h2-11,15,18-19H,12-14,22H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t15-,18-,19+/m1/s1
Definition date:2008-12-25
Last modified:2011-06-04
Identifier:N-{(2S)-3-[(R)-[(1R)-1-aminoethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-L-phenylalanine
S24
S24
Name:S-(2,4-dihydroxyphenyl) hydrogen thiocarbonate
Formula:C7 H6 O4 S
SMILES:O=C(Sc1ccc(O)cc1O)O
InChi:InChI=1S/C7H6O4S/c8-4-1-2-6(5(9)3-4)12-7(10)11/h1-3,8-9H,(H,10,11)
Definition date:2007-12-20
Last modified:2011-06-04
Identifier:S-(2,4-dihydroxyphenyl) hydrogen thiocarbonate
VS1
VS1
Name:3-[[N-[MORPHOLIN-N-YL]-CARBONYL]-PHENYLALANINYL-AMINO]-5- PHENYL-PENTANE-1-SULFONYLBENZENE
Formula:C31 H37 N3 O5 S
SMILES:O=C(NC(C(=O)NC(CCc1ccccc1)CCS(=O)(=O)c2ccccc2)Cc3ccccc3)N4CCOCC4
InChi:InChI=1S/C31H37N3O5S/c35-30(29(24-26-12-6-2-7-13-26)33-31(36)34-19-21-39-22-20-34)32-27(17-16-25-10-4-1-5-11-25)18-23-40(37,38)28-14-8-3-9-15-28/h1-15,27,29H,16-24H2,(H,32,35)(H,33,36)/t27-,29-/m0/s1
Definition date:2000-06-07
Last modified:2011-06-04
Identifier:Nalpha-(morpholin-4-ylcarbonyl)-N-{(1S)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}-L-phenylalaninamide
VS2
VS2
Name:3-[N-[BENZYLOXYCARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONYLMETHYLBENZENE
Formula:C35 H38 N2 O5 S
SMILES:O=S(=O)(Cc1ccccc1)CCC(NC(=O)C(NC(=O)OCc2ccccc2)Cc3ccccc3)CCc4ccccc4
InChi:InChI=1S/C35H38N2O5S/c38-34(33(25-29-15-7-2-8-16-29)37-35(39)42-26-30-17-9-3-10-18-30)36-32(22-21-28-13-5-1-6-14-28)23-24-43(40,41)27-31-19-11-4-12-20-31/h1-20,32-33H,21-27H2,(H,36,38)(H,37,39)/t32-,33-/m0/s1
Definition date:2000-06-09
Last modified:2011-06-04
Identifier:Nalpha-[(benzyloxy)carbonyl]-N-[(1S)-3-(benzylsulfonyl)-1-(2-phenylethyl)propyl]-L-phenylalaninamide
VS3
VS3
Name:3-[N-[BENZYLOXYCARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONIC ACID 4-NITRO-PHENYL ESTER
Formula:C34 H35 N3 O8 S
SMILES:O=S(=O)(Oc1ccc(cc1)[N+]([O-])=O)CCC(NC(=O)C(NC(=O)OCc2ccccc2)Cc3ccccc3)CCc4ccccc4
InChi:InChI=1S/C34H35N3O8S/c38-33(32(24-27-12-6-2-7-13-27)36-34(39)44-25-28-14-8-3-9-15-28)35-29(17-16-26-10-4-1-5-11-26)22-23-46(42,43)45-31-20-18-30(19-21-31)37(40)41/h1-15,18-21,29,32H,16-17,22-25H2,(H,35,38)(H,36,39)/t29-,32-/m0/s1
Definition date:2000-06-09
Last modified:2011-06-04
Identifier:4-nitrophenyl (3S)-3-({N-[(benzyloxy)carbonyl]-L-phenylalanyl}amino)-5-phenylpentane-1-sulfonate
OEF
OEF
Name:3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACID
Formula:C18 H18 Br2 O4
SMILES:Brc2cc(cc(Br)c2Oc1cc(c(O)cc1)C(C)C)CCC(=O)O
InChi:InChI=1S/C18H18Br2O4/c1-10(2)13-9-12(4-5-16(13)21)24-18-14(19)7-11(8-15(18)20)3-6-17(22)23/h4-5,7-10,21H,3,6H2,1-2H3,(H,22,23)
Definition date:2006-08-28
Last modified:2011-06-04
Identifier:3-{3,5-dibromo-4-[4-hydroxy-3-(1-methylethyl)phenoxy]phenyl}propanoic acid
PND
PND
Name:P-NITROPHENYLHYDRAZINE
Formula:C6 H7 N3 O2
SMILES:[O-][N+](=O)c1ccc(NN)cc1
InChi:InChI=1S/C6H7N3O2/c7-8-5-1-3-6(4-2-5)9(10)11/h1-4,8H,7H2
Definition date:2001-07-27
Last modified:2011-06-04
Identifier:(4-nitrophenyl)hydrazine
OEG
OEG
Name:2,2'-oxydiacetic acid
Formula:C4 H6 O5
SMILES:O=C(O)COCC(=O)O
InChi:InChI=1S/C4H6O5/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
Definition date:2008-03-28
Last modified:2011-06-04
Identifier:2,2'-oxydiacetic acid
NKK
NKK
Name:N~2~-(naphthalen-2-ylcarbonyl)-L-lysyl-N-[(1S)-4-carbamimidamido-1-formylbutyl]-L-lysinamide
Formula:C29 H44 N8 O4
SMILES:O=CC(NC(=O)C(NC(=O)C(NC(=O)c2ccc1c(cccc1)c2)CCCCN)CCCCN)CCCNC(=[N@H])N
InChi:InChI=1S/C29H44N8O4/c30-15-5-3-11-24(27(40)35-23(19-38)10-7-17-34-29(32)33)37-28(41)25(12-4-6-16-31)36-26(39)22-14-13-20-8-1-2-9-21(20)18-22/h1-2,8-9,13-14,18-19,23-25H,3-7,10-12,15-17,30-31H2,(H,35,40)(H,36,39)(H,37,41)(H4,32,33,34)/t23-,24-,25-/m0/s1
Definition date:2008-08-22
Last modified:2011-06-04
Identifier:N~2~-(naphthalen-2-ylcarbonyl)-L-lysyl-N-[(1S)-4-carbamimidamido-1-formylbutyl]-L-lysinamide

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