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2PG
2PG
Name:2-PHOSPHOGLYCERIC ACID
Formula:C3 H7 O7 P
SMILES:O=P(O)(O)OC(C(=O)O)CO
InChi:InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(2R)-3-hydroxy-2-(phosphonooxy)propanoic acid
KAW
KAW
Name:N-{(5S)-4,4-dihydroxy-6-phenyl-5-[(phenylcarbonyl)amino]hexanoyl}-L-tryptophan
Formula:C30 H31 N3 O6
SMILES:O=C(c1ccccc1)NC(Cc2ccccc2)C(O)(O)CCC(=O)NC(C(=O)O)Cc4c3ccccc3nc4
InChi:InChI=1S/C30H31N3O6/c34-27(32-25(29(36)37)18-22-19-31-24-14-8-7-13-23(22)24)15-16-30(38,39)26(17-20-9-3-1-4-10-20)33-28(35)21-11-5-2-6-12-21/h1-14,19,25-26,31,38-39H,15-18H2,(H,32,34)(H,33,35)(H,36,37)/t25-,26-/m0/s1
Definition date:2007-12-12
Last modified:2011-06-04
Identifier:N-{(5S)-4,4-dihydroxy-6-phenyl-5-[(phenylcarbonyl)amino]hexanoyl}-L-tryptophan
2PQ
2PQ
Name:2-[(1-{3-[4-(biphenyl-4-ylcarbonyl)-2-propylphenoxy]propyl}-1,2,3,4-tetrahydroquinolin-5-yl)oxy]-2-methylpropanoic acid
Formula:C38 H41 N O5
SMILES:O=C(O)C(Oc1cccc2c1CCCN2CCCOc5ccc(C(=O)c4ccc(c3ccccc3)cc4)cc5CCC)(C)C
InChi:InChI=1S/C38H41NO5/c1-4-11-30-26-31(36(40)29-19-17-28(18-20-29)27-12-6-5-7-13-27)21-22-34(30)43-25-10-24-39-23-9-14-32-33(39)15-8-16-35(32)44-38(2,3)37(41)42/h5-8,12-13,15-22,26H,4,9-11,14,23-25H2,1-3H3,(H,41,42)
Definition date:2009-02-23
Last modified:2011-06-04
Identifier:2-[(1-{3-[4-(biphenyl-4-ylcarbonyl)-2-propylphenoxy]propyl}-1,2,3,4-tetrahydroquinolin-5-yl)oxy]-2-methylpropanoic acid
2PY
2PY
Name:(2S)-1-{[5-(1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}-3-[(7AS)-7AH-INDOL-3-YL]PROPAN-2-AMINE
Formula:C23 H21 N5 O
SMILES:N1=CC(=C2C=CC=CC12)CC(N)COc5cc(c3cc4c(cc3)nnc4)cnc5
InChi:InChI=1S/C23H21N5O/c24-19(8-17-11-26-23-4-2-1-3-21(17)23)14-29-20-9-16(10-25-13-20)15-5-6-22-18(7-15)12-27-28-22/h1-7,9-13,19,23H,8,14,24H2,(H,27,28)/t19-,23?/m0/s1
Definition date:2007-01-17
Last modified:2011-06-04
Identifier:(2S)-1-{[5-(1H-indazol-5-yl)pyridin-3-yl]oxy}-3-[(7aS)-7aH-indol-3-yl]propan-2-amine
KBT
KBT
Name:3-{[3-butyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile
Formula:C20 H23 N3 O3
SMILES:CCCCN1C(=O)NC(=O)C(=C1C(=O)c2cc(C)cc(c2)C#N)C(C)C
InChi:InChI=1S/C20H23N3O3/c1-5-6-7-23-17(16(12(2)3)19(25)22-20(23)26)18(24)15-9-13(4)8-14(10-15)11-21/h8-10,12H,5-7H2,1-4H3,(H,22,25,26)
Definition date:2010-01-15
Last modified:2011-06-04
Identifier:3-(3-butyl-2,6-dioxo-5-propan-2-yl-pyrimidin-4-yl)carbonyl-5-methyl-benzenecarbonitrile
KEL
KEL
Name:N-[(2R)-2-benzyl-4-(hydroxyamino)-4-oxobutanoyl]-L-alanine
Formula:C14 H18 N2 O5
SMILES:O=C(O)C(NC(=O)C(Cc1ccccc1)CC(=O)NO)C
InChi:InChI=1S/C14H18N2O5/c1-9(14(19)20)15-13(18)11(8-12(17)16-21)7-10-5-3-2-4-6-10/h2-6,9,11,21H,7-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)/t9-,11+/m0/s1
Definition date:2007-11-02
Last modified:2011-06-04
Identifier:N-[(2R)-2-benzyl-4-(hydroxyamino)-4-oxobutanoyl]-L-alanine
ACN
ACN
Name:ACETONE
Formula:C3 H6 O
SMILES:O=C(C)C
InChi:InChI=1S/C3H6O/c1-3(2)4/h1-2H3
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:propan-2-one
ACO
ACO
Name:ACETYL COENZYME *A
Formula:C23 H38 N7 O17 P3 S
SMILES:O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C
InChi:InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:S-{(9R,13S,15S)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} ethanethioate (non-preferred name)
ACV
ACV
Name:L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE
Formula:C14 H25 N3 O6 S
SMILES:O=C(NC(C(=O)O)C(C)C)C(NC(=O)CCCC(C(=O)O)N)CS
InChi:InChI=1S/C14H25N3O6S/c1-7(2)11(14(22)23)17-12(19)9(6-24)16-10(18)5-3-4-8(15)13(20)21/h7-9,11,24H,3-6,15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)/t8-,9-,11+/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-valine
ACW
ACW
Name:D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-B-METHYL-D-CYCLOPROPYLGLYCINE
Formula:C15 H25 N3 O6 S
SMILES:O=C(NC(C(=O)O)C1(C)CC1)C(NC(=O)CCCC(C(=O)O)N)CS
InChi:InChI=1S/C15H25N3O6S/c1-15(5-6-15)11(14(23)24)18-12(20)9(7-25)17-10(19)4-2-3-8(16)13(21)22/h8-9,11,25H,2-7,16H2,1H3,(H,17,19)(H,18,20)(H,21,22)(H,23,24)/t8-,9-,11-/m0/s1
Definition date:2006-06-13
Last modified:2011-06-04
Identifier:N~6~-[(1R)-2-{[(R)-carboxy(1-methylcyclopropyl)methyl]amino}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine
AEP
AEP
Name:3-[(1-AMINO-2-CARBOXY-ETHYL)-HYDROXY-PHOSPHINOYL]-2-METHYL-PROPIONIC ACID
Formula:C7 H14 N O6 P
SMILES:O=P(O)(CC(C(=O)O)C)C(N)CC(=O)O
InChi:InChI=1S/C7H14NO6P/c1-4(7(11)12)3-15(13,14)5(8)2-6(9)10/h4-5H,2-3,8H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t4-,5-/m1/s1
Definition date:2002-04-23
Last modified:2011-06-04
Identifier:(2S)-3-{[(1R)-1-amino-2-carboxyethyl](hydroxy)phosphoryl}-2-methylpropanoic acid
AF4
AF4
Name:2,4-BIS{[4-(N-ISOPORPYL)DIAMINOMETHYL]PHENYL}FURAN
Formula:C24 H32 N4 O
SMILES:o2c(cc(c1ccc(cc1)C(N)NC(C)C)c2)c3ccc(cc3)C(N)NC(C)C
InChi:InChI=1S/C24H32N4O/c1-15(2)27-23(25)19-9-5-17(6-10-19)21-13-22(29-14-21)18-7-11-20(12-8-18)24(26)28-16(3)4/h5-16,23-24,27-28H,25-26H2,1-4H3/t23-,24?/m0/s1
Definition date:2006-05-09
Last modified:2011-06-04
Identifier:(S,S)-(furan-2,4-diyldibenzene-4,1-diyl)bis[N-(1-methylethyl)methanediamine]
AFN
AFN
Name:8,9-DIHYDRO-9-HYDROXY-AFLATOXIN B1
Formula:C17 H14 O7
SMILES:O=C5C=4C(=O)Oc3c1c(OC2OCC(O)C12)cc(OC)c3C=4CC5
InChi:InChI=1S/C17H14O7/c1-21-9-4-10-14(13-8(19)5-22-17(13)23-10)15-12(9)6-2-3-7(18)11(6)16(20)24-15/h4,8,13,17,19H,2-3,5H2,1H3/t8-,13-,17+/m0/s1
Definition date:2003-01-03
Last modified:2011-06-04
Identifier:(6aR,9R,9aR)-9-hydroxy-4-methoxy-2,3,6a,8,9,9a-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione
AG6
AG6
Name:N-[(benzyloxy)carbonyl]-L-alpha-glutamyl-N-[(1S)-4-oxo-4-phenyl-1-propylbut-2-en-1-yl]-L-phenylalaninamide
Formula:C35 H39 N3 O7
SMILES:CCC[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)[CH](CCC(O)=O)NC(=O)OCc2ccccc2)C=CC(=O)c3ccccc3
InChi:InChI=1S/C35H39N3O7/c1-2-12-28(19-21-31(39)27-17-10-5-11-18-27)36-34(43)30(23-25-13-6-3-7-14-25)37-33(42)29(20-22-32(40)41)38-35(44)45-24-26-15-8-4-9-16-26/h3-11,13-19,21,28-30H,2,12,20,22-24H2,1H3,(H,36,43)(H,37,42)(H,38,44)(H,40,41)/t28-,29-,30-/m0/s1
Definition date:2009-02-23
Last modified:2011-06-04
Identifier:(4S)-5-oxo-5-[[(2S)-1-oxo-1-[[(4S)-1-oxo-1-phenyl-hept-2-en-4-yl]amino]-3-phenyl-propan-2-yl]amino]-4-(phenylmethoxycarbonylamino)pentanoic acid
AGF
AGF
Name:O-(((1R)-((N-(PHENYL-METHOXY-CARBONYL)-ALANYL)-AMINO)METHYL)HYDROXYPHOSPHINYL)3-L-PHENYLLACTATE
Formula:C21 H25 N2 O8 P
SMILES:O=C(O)C(OP(=O)(O)CNC(=O)C(NC(=O)OCc1ccccc1)C)Cc2ccccc2
InChi:InChI=1S/C21H25N2O8P/c1-15(23-21(27)30-13-17-10-6-3-7-11-17)19(24)22-14-32(28,29)31-18(20(25)26)12-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3,(H,22,24)(H,23,27)(H,25,26)(H,28,29)/t15-,18-/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(2S)-2-{[(R)-[({N-[(benzyloxy)carbonyl]-L-alanyl}amino)methyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoic acid
AHC
AHC
Name:4-AMINOHYDROCINNAMIC ACID
Formula:C9 H11 N O2
SMILES:O=C(O)CCc1ccc(N)cc1
InChi:InChI=1S/C9H11NO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6,10H2,(H,11,12)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:3-(4-aminophenyl)propanoic acid
AHF
AHF
Name:2-[4-(HYDROXY-METHOXY-METHYL)-BENZYL]-7-(4-HYDROXYMETHYL-BENZYL)-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-1LAMBDA6-[1,2,7]THIADIAZEPANE-4,5-DIOL
Formula:C35 H40 N2 O9 S
SMILES:O=S2(=O)N(C(C(O)C(O)C(N2Cc1ccc(cc1)C(O)OC)COc3ccccc3)COc4ccccc4)Cc5ccc(cc5)CO
InChi:InChI=1S/C35H40N2O9S/c1-44-35(41)28-18-16-26(17-19-28)21-37-32(24-46-30-10-6-3-7-11-30)34(40)33(39)31(23-45-29-8-4-2-5-9-29)36(47(37,42)43)20-25-12-14-27(22-38)15-13-25/h2-19,31-35,38-41H,20-24H2,1H3/t31-,32-,33+,34+,35+/m1/s1
Definition date:2000-11-02
Last modified:2011-06-04
Identifier:(3R,4S,5S,6R)-2-{4-[(S)-hydroxy(methoxy)methyl]benzyl}-7-[4-(hydroxymethyl)benzyl]-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepane-4,5-diol 1,1-dioxide
AHX
AHX
Name:SERYL-HYDROXAMATE-ADENOSINE MONOPHOSPHATE
Formula:C13 H20 N7 O9 P
SMILES:O=P(O)(ONC(=O)C(N)CO)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C13H20N7O9P/c14-5(1-21)12(24)19-29-30(25,26)27-2-6-8(22)9(23)13(28-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-23H,1-2,14H2,(H,19,24)(H,25,26)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:5'-O-{(S)-hydroxy[(L-serylamino)oxy]phosphoryl}adenosine
AIK
AIK
Name:N-[3-(DIMETHYLAMINO)PROPYL]-2-({[4-({[4-(FORMYLAMINO)-1-METHYL-1H-PYRROL-2-YL]CARBONYL}AMINO)-1-METHYL-1H-PYRROL-2-YL]CARBONYL}AMINO)-5-ISOPROPYL-1,3-THIAZOLE-4-CARBOXAMIDE
Formula:C25 H34 N8 O4 S
SMILES:O=C(Nc1nc(C(=O)NCCCN(C)C)c(s1)C(C)C)c3cc(NC(=O)c2cc(NC=O)cn2C)cn3C
InChi:InChI=1S/C25H34N8O4S/c1-15(2)21-20(24(37)26-8-7-9-31(3)4)29-25(38-21)30-23(36)19-11-17(13-33(19)6)28-22(35)18-10-16(27-14-34)12-32(18)5/h10-15H,7-9H2,1-6H3,(H,26,37)(H,27,34)(H,28,35)(H,29,30,36)
Definition date:2003-12-05
Last modified:2011-06-04
Identifier:N-[3-(dimethylamino)propyl]-2-({[4-({[4-(formylamino)-1-methyl-1H-pyrrol-2-yl]carbonyl}amino)-1-methyl-1H-pyrrol-2-yl]carbonyl}amino)-5-(1-methylethyl)-1,3-thiazole-4-carboxamide
AIO
AIO
Name:[(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN-2-YL]BORONIC ACID
Formula:C13 H26 B N3 O4
SMILES:O=C(N1CCCC1B(O)O)C(NC(=O)C(N)C)C(C)CC
InChi:InChI=1S/C13H26BN3O4/c1-4-8(2)11(16-12(18)9(3)15)13(19)17-7-5-6-10(17)14(20)21/h8-11,20-21H,4-7,15H2,1-3H3,(H,16,18)/t8-,9-,10-,11-/m0/s1
Definition date:2007-02-23
Last modified:2011-06-04
Identifier:[(2R)-1-(L-alanyl-L-isoleucyl)pyrrolidin-2-yl]boronic acid
AJH
AJH
Name:4-({4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,4-diazepan-1-yl}carbonyl)benzoic acid
Formula:C23 H24 F3 N3 O4
SMILES:O=C(N2CCCN(C(=O)c1ccc(C(=O)O)cc1)CC2)CC(N)Cc3cc(F)c(F)cc3F
InChi:InChI=1S/C23H24F3N3O4/c24-18-13-20(26)19(25)11-16(18)10-17(27)12-21(30)28-6-1-7-29(9-8-28)22(31)14-2-4-15(5-3-14)23(32)33/h2-5,11,13,17H,1,6-10,12,27H2,(H,32,33)/t17-/m1/s1
Definition date:2008-09-25
Last modified:2011-06-04
Identifier:4-({4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,4-diazepan-1-yl}carbonyl)benzoic acid
AK5
AK5
Name:3-({3-[(6-amino-5-bromopyrimidin-4-yl)sulfanyl]propanoyl}amino)-4-methoxy-N-phenylbenzamide
Formula:C21 H20 Br N5 O3 S
SMILES:Brc3c(SCCC(=O)Nc2cc(C(=O)Nc1ccccc1)ccc2OC)ncnc3N
InChi:InChI=1S/C21H20BrN5O3S/c1-30-16-8-7-13(20(29)26-14-5-3-2-4-6-14)11-15(16)27-17(28)9-10-31-21-18(22)19(23)24-12-25-21/h2-8,11-12H,9-10H2,1H3,(H,26,29)(H,27,28)(H2,23,24,25)
Definition date:2008-06-24
Last modified:2011-06-04
Identifier:3-({3-[(6-amino-5-bromopyrimidin-4-yl)sulfanyl]propanoyl}amino)-4-methoxy-N-phenylbenzamide
AK6
AK6
Name:4-methoxy-N-phenyl-3-({3-[(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide
Formula:C25 H24 N4 O3 S
SMILES:O=C(Nc1ccccc1)c2cc(c(OC)cc2)NC(=O)CCSCc3cc4c(nc3)ncc4
InChi:InChI=1S/C25H24N4O3S/c1-32-22-8-7-19(25(31)28-20-5-3-2-4-6-20)14-21(22)29-23(30)10-12-33-16-17-13-18-9-11-26-24(18)27-15-17/h2-9,11,13-15H,10,12,16H2,1H3,(H,26,27)(H,28,31)(H,29,30)
Definition date:2008-06-24
Last modified:2011-06-04
Identifier:4-methoxy-N-phenyl-3-({3-[(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide
AKP
AKP
Name:N-(PYRAZIN-2-YLCARBONYL)LEUCYLISOLEUCYL-N~1~-{1-[2-({1-CARBOXY-2-[4-(PHOSPHONOOXY)PHENYL]ETHYL}AMINO)-1,1-DIHYDROXY-2-OXOETHYL]BUT-3-ENYL}-3-CYCLOHEXYLALANINAMIDE
Formula:C41 H60 N7 O13 P
SMILES:O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(O)(O)C(=O)NC(C(=O)O)Cc1ccc(OP(=O)(O)O)cc1)CC=C)CC2CCCCC2)C(C)CC)CC(C)C)c3nccnc3
InChi:InChI=1S/C41H60N7O13P/c1-6-11-33(41(56,57)40(55)46-31(39(53)54)22-27-14-16-28(17-15-27)61-62(58,59)60)47-35(49)30(21-26-12-9-8-10-13-26)45-38(52)34(25(5)7-2)48-36(50)29(20-24(3)4)44-37(51)32-23-42-18-19-43-32/h6,14-19,23-26,29-31,33-34,56-57H,1,7-13,20-22H2,2-5H3,(H,44,51)(H,45,52)(H,46,55)(H,47,49)(H,48,50)(H,53,54)(H2,58,59,60)/t25-,29-,30-,31-,33-,34-/m0/s1
Definition date:2004-08-30
Last modified:2011-06-04
Identifier:N-(pyrazin-2-ylcarbonyl)-L-leucyl-L-isoleucyl-N-{(1S)-1-[2-({(1S)-1-carboxy-2-[4-(phosphonooxy)phenyl]ethyl}amino)-1,1-dihydroxy-2-oxoethyl]but-3-en-1-yl}-3-cyclohexyl-L-alaninamide
ALP
ALP
Name:2-(1-CARBOXY-2-HYDROXY-ETHYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID
Formula:C9 H15 N O5 S
SMILES:O=C(O)C(CO)C1SC(C(C(=O)O)N1)(C)C
InChi:InChI=1S/C9H15NO5S/c1-9(2)5(8(14)15)10-6(16-9)4(3-11)7(12)13/h4-6,10-11H,3H2,1-2H3,(H,12,13)(H,14,15)/t4-,5+,6-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(2R,4S)-2-[(1S)-1-carboxy-2-hydroxyethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

223790

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