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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
027
027
Name:7-(4-methylpiperazin-1-yl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(propan-2-yl)phthalazin-1(2H)-one
Formula:C20 H27 N7 O
SMILES:O=C4N(N=C(Nc1nnc(c1)C)c3ccc(N2CCN(C)CC2)cc34)C(C)C
InChi:InChI=1S/C20H27N7O/c1-13(2)27-20(28)17-12-15(26-9-7-25(4)8-10-26)5-6-16(17)19(24-27)21-18-11-14(3)22-23-18/h5-6,11-13H,7-10H2,1-4H3,(H2,21,22,23,24)
Definition date:2010-11-09
Last modified:2011-06-04
Identifier:7-(4-methylpiperazin-1-yl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(propan-2-yl)phthalazin-1(2H)-one
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
AMJ
AMJ
Name:N~2~-acetyl-N-benzyl-O-methyl-L-serinamide
Formula:C13 H18 N2 O3
SMILES:O=C(NC(C(=O)NCc1ccccc1)COC)C
InChi:InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m0/s1
Definition date:2009-07-30
Last modified:2011-06-04
Identifier:N~2~-acetyl-N-benzyl-O-methyl-L-serinamide
AMO
AMO
Name:ASPARTYL-ADENOSINE-5'-MONOPHOSPHATE
Formula:C14 H19 N6 O10 P
SMILES:O=C(O)CC(N)C(=O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C14H19N6O10P/c15-5(1-7(21)22)14(25)30-31(26,27)28-2-6-9(23)10(24)13(29-6)20-4-19-8-11(16)17-3-18-12(8)20/h3-6,9-10,13,23-24H,1-2,15H2,(H,21,22)(H,26,27)(H2,16,17,18)/t5-,6+,9+,10+,13+/m0/s1
Definition date:2000-11-16
Last modified:2011-06-04
Identifier:5'-O-[(S)-{[(2S)-2-amino-3-carboxypropanoyl]oxy}(hydroxy)phosphoryl]adenosine
AN1
AN1
Name:3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID
Formula:C18 H16 O2
SMILES:O=C(O)CCc2c3c(c(c1c2cccc1)C)cccc3
InChi:InChI=1S/C18H16O2/c1-12-13-6-2-4-8-15(13)17(10-11-18(19)20)16-9-5-3-7-14(12)16/h2-9H,10-11H2,1H3,(H,19,20)
Definition date:2002-06-20
Last modified:2011-06-04
Identifier:3-(10-methylanthracen-9-yl)propanoic acid
AN9
AN9
Name:1,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-9,10-DIONE
Formula:C28 H36 N4 O4
SMILES:O=C(Nc3c2C(=O)c1cccc(c1C(=O)c2ccc3)NC(=O)CCN(CC)CC)CCN(CC)CC
InChi:InChI=1S/C28H36N4O4/c1-5-31(6-2)17-15-23(33)29-21-13-9-11-19-25(21)27(35)20-12-10-14-22(26(20)28(19)36)30-24(34)16-18-32(7-3)8-4/h9-14H,5-8,15-18H2,1-4H3,(H,29,33)(H,30,34)
Definition date:2004-10-26
Last modified:2011-06-04
Identifier:N,N'-(9,10-dioxo-9,10-dihydroanthracene-1,5-diyl)bis[3-(diethylamino)propanamide] (non-preferred name)
ANW
ANW
Name:2-amino-7-(1-methylethyl)-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid
Formula:C16 H14 N2 O4
SMILES:O=C(O)c1cc2C(=O)c3cc(ccc3Oc2nc1N)C(C)C
InChi:InChI=1S/C16H14N2O4/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12/h3-7H,1-2H3,(H2,17,18)(H,20,21)
Definition date:2009-10-09
Last modified:2011-06-04
Identifier:2-amino-5-oxo-7-(propan-2-yl)-5H-chromeno[2,3-b]pyridine-3-carboxylic acid
AO5
AO5
Name:N'-((2S,3R)-3-AMINO-2-HYDROXY-5-(ISOPROPYLSULFANYL)PENTANOYL)-N-3-CHLOROBENZOYL HYDRAZIDE
Formula:C15 H22 Cl N3 O3 S
SMILES:O=C(c1cc(Cl)ccc1)NNC(=O)C(O)C(N)CCSC(C)C
InChi:InChI=1S/C15H22ClN3O3S/c1-9(2)23-7-6-12(17)13(20)15(22)19-18-14(21)10-4-3-5-11(16)8-10/h3-5,8-9,12-13,20H,6-7,17H2,1-2H3,(H,18,21)(H,19,22)/t12-,13+/m1/s1
Definition date:2003-11-10
Last modified:2011-06-04
Identifier:3-amino-1-{2-[(3-chlorophenyl)carbonyl]hydrazino}-3,4-dideoxy-5-S-(1-methylethyl)-5-thio-D-threo-pentose
057
057
Name:N-(2-hydroxy-1,1-dimethylethyl)-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indole-5-carboxamide
Formula:C21 H22 N4 O2
SMILES:O=C(c1cc2c(cc1)n(cc2c4cc3cccnc3n4)C)NC(C)(C)CO
InChi:InChI=1S/C21H22N4O2/c1-21(2,12-26)24-20(27)14-6-7-18-15(9-14)16(11-25(18)3)17-10-13-5-4-8-22-19(13)23-17/h4-11,26H,12H2,1-3H3,(H,22,23)(H,24,27)
Definition date:2009-01-09
Last modified:2011-06-04
Identifier:N-(2-hydroxy-1,1-dimethylethyl)-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indole-5-carboxamide
059
059
Name:(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-{(S)-HYDROXY[(1R)-2-METHYL-1-{[(2-PHENYLETHYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID
Formula:C22 H31 N2 O6 P S
SMILES:O=S(=O)(NC(C(C)C)P(=O)(O)CC(c1cccc(c1)CN)C(=O)O)CCc2ccccc2
InChi:InChI=1S/C22H31N2O6PS/c1-16(2)21(24-32(29,30)12-11-17-7-4-3-5-8-17)31(27,28)15-20(22(25)26)19-10-6-9-18(13-19)14-23/h3-10,13,16,20-21,24H,11-12,14-15,23H2,1-2H3,(H,25,26)(H,27,28)/t20-,21+/m0/s1
Definition date:2007-04-20
Last modified:2011-06-04
Identifier:(2S)-2-[3-(aminomethyl)phenyl]-3-{(S)-hydroxy[(1R)-2-methyl-1-{[(2-phenylethyl)sulfonyl]amino}propyl]phosphoryl}propanoic acid
064
064
Name:3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid
Formula:C28 H22 Cl3 N O4
SMILES:O=C(O)c1cccc(c1)C=Cc4ccc(OCc3c(onc3c2c(Cl)cccc2Cl)C(C)C)cc4Cl
InChi:InChI=1S/C28H22Cl3NO4/c1-16(2)27-21(26(32-36-27)25-22(29)7-4-8-23(25)30)15-35-20-12-11-18(24(31)14-20)10-9-17-5-3-6-19(13-17)28(33)34/h3-14,16H,15H2,1-2H3,(H,33,34)/b10-9+
Definition date:2008-06-05
Last modified:2011-06-04
Identifier:3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid
APA
APA
Name:(2S)-3-(4-carbamimidoylphenyl)-2-hydroxypropanoic acid
Formula:C10 H12 N2 O3
SMILES:O=C(O)C(O)Cc1ccc(cc1)C(=[N@H])N
InChi:InChI=1S/C10H12N2O3/c11-9(12)7-3-1-6(2-4-7)5-8(13)10(14)15/h1-4,8,13H,5H2,(H3,11,12)(H,14,15)/t8-/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(2S)-3-(4-carbamimidoylphenyl)-2-hydroxypropanoic acid
APG
APG
Name:ATROLACTIC ACID (2-PHENYL-LACTIC ACID)
Formula:C9 H10 O3
SMILES:O=C(O)C(O)(c1ccccc1)C
InChi:InChI=1S/C9H10O3/c1-9(12,8(10)11)7-5-3-2-4-6-7/h2-6,12H,1H3,(H,10,11)/t9-/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(2S)-2-hydroxy-2-phenylpropanoic acid
APM
APM
Name:M-AMIDINOPHENYL-3-ALANINE
Formula:C10 H13 N3 O2
SMILES:O=C(O)C(N)Cc1cc(ccc1)C(=[N@H])N
InChi:InChI=1S/C10H13N3O2/c11-8(10(14)15)5-6-2-1-3-7(4-6)9(12)13/h1-4,8H,5,11H2,(H3,12,13)(H,14,15)/t8-/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:3-carbamimidoyl-L-phenylalanine
APO
APO
Name:D-2-AMINO-3-PHOSPHONO-PROPIONIC ACID
Formula:C3 H8 N O5 P
SMILES:O=C(O)C(N)CP(=O)(O)O
InChi:InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1
Definition date:2002-03-27
Last modified:2011-06-04
Identifier:3-phosphono-D-alanine
APS
APS
Name:9-HYDROXYPROPYLADENINE, S-ISOMER
Formula:C8 H11 N5 O
SMILES:n1c(c2ncn(c2nc1)CC(O)C)N
InChi:InChI=1S/C8H11N5O/c1-5(14)2-13-4-12-6-7(9)10-3-11-8(6)13/h3-5,14H,2H2,1H3,(H2,9,10,11)/t5-/m0/s1
Definition date:2000-05-24
Last modified:2011-06-04
Identifier:(2S)-1-(6-amino-9H-purin-9-yl)propan-2-ol
AQS
AQS
Name:N,N-BIS(3-AMINOPROPYL)-2-ANTHRAQUINONESULFONAMIDE
Formula:C20 H25 N3 O4 S
SMILES:O=S(=O)(N(CCC[NH3+])CCC[NH3+])c3ccc2C(=O)c1c(cccc1)C(=O)c2c3
InChi:InChI=1S/C20H23N3O4S/c21-9-3-11-23(12-4-10-22)28(26,27)14-7-8-17-18(13-14)20(25)16-6-2-1-5-15(16)19(17)24/h1-2,5-8,13H,3-4,9-12,21-22H2/p+2
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:3,3'-{[(9,10-dioxo-9,10-dihydroanthracen-2-yl)sulfonyl]imino}dipropan-1-aminium
088
088
Name:3-[(5-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1H-indol-1-yl)methyl]benzoic acid
Formula:C29 H24 Cl2 N2 O4
SMILES:O=C(O)c1cc(ccc1)Cn5ccc4cc(OCc3c(onc3c2c(Cl)cccc2Cl)C(C)C)ccc45
InChi:InChI=1S/C29H24Cl2N2O4/c1-17(2)28-22(27(32-37-28)26-23(30)7-4-8-24(26)31)16-36-21-9-10-25-19(14-21)11-12-33(25)15-18-5-3-6-20(13-18)29(34)35/h3-14,17H,15-16H2,1-2H3,(H,34,35)
Definition date:2009-05-06
Last modified:2011-06-04
Identifier:3-[(5-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1H-indol-1-yl)methyl]benzoic acid
08S
08S
Name:3-CHLORO-6-FLUORO-N-[2-[4-[(5-PROPAN-2-YL-1,3,4-THIADIAZOL-2-YL)SULFAMOYL]PHENYL]ETHYL]-1-BENZOTHIOPHENE-2-CARBOXAMIDE
Formula:C22 H20 Cl F N4 O3 S3
SMILES:CC(C)c1sc(N[S](=O)(=O)c2ccc(CCNC(=O)c3sc4cc(F)ccc4c3Cl)cc2)nn1
InChi:InChI=1S/C22H20ClFN4O3S3/c1-12(2)21-26-27-22(33-21)28-34(30,31)15-6-3-13(4-7-15)9-10-25-20(29)19-18(23)16-8-5-14(24)11-17(16)32-19/h3-8,11-12H,9-10H2,1-2H3,(H,25,29)(H,27,28)
Definition date:2010-11-19
Last modified:2011-06-04
Identifier:3-chloro-6-fluoro-N-[2-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]ethyl]-1-benzothiophene-2-carboxamide
ARP
ARP
Name:9-HYDROXYPROPYLADENINE, R-ISOMER
Formula:C8 H11 N5 O
SMILES:n1c(c2ncn(c2nc1)CC(O)C)N
InChi:InChI=1S/C8H11N5O/c1-5(14)2-13-4-12-6-7(9)10-3-11-8(6)13/h3-5,14H,2H2,1H3,(H2,9,10,11)/t5-/m1/s1
Definition date:2000-05-24
Last modified:2011-06-04
Identifier:(2R)-1-(6-amino-9H-purin-9-yl)propan-2-ol
ARQ
ARQ
Name:BENZOYLAMINO-BENZYL-METHYL-[2-HYDROXY-3-[1-METHYL-ETHYL-OXY-N-FORMAMIDYL]-4-PHENYL-BUTYL]-AMMONIUM
Formula:C30 H38 N3 O4
SMILES:O=C(OC(C)(C)C)NC(Cc1ccccc1)C(O)C[N+](NC(=O)c2ccccc2)(Cc3ccccc3)C
InChi:InChI=1S/C30H37N3O4/c1-30(2,3)37-29(36)31-26(20-23-14-8-5-9-15-23)27(34)22-33(4,21-24-16-10-6-11-17-24)32-28(35)25-18-12-7-13-19-25/h5-19,26-27,34H,20-22H2,1-4H3,(H-,31,32,35,36)/p+1/t26-,27-,33+/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(1R)-1-benzyl-1-{(2S,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-1-methyl-2-(phenylcarbonyl)diazanium
AS6
AS6
Name:{4-METHYL-3-[(1-METHYLETHYL)(2-{[3-(METHYLSULFONYL)-5-MORPHOLIN-4-YLPHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENYL}METHANOL
Formula:C26 H33 N5 O4 S
SMILES:O=S(=O)(c3cc(cc(Nc2nc(N(c1cc(ccc1C)CO)C(C)C)ccn2)c3)N4CCOCC4)C
InChi:InChI=1S/C26H33N5O4S/c1-18(2)31(24-13-20(17-32)6-5-19(24)3)25-7-8-27-26(29-25)28-21-14-22(30-9-11-35-12-10-30)16-23(15-21)36(4,33)34/h5-8,13-16,18,32H,9-12,17H2,1-4H3,(H,27,28,29)
Definition date:2010-10-25
Last modified:2011-06-04
Identifier:{4-methyl-3-[(1-methylethyl)(2-{[3-(methylsulfonyl)-5-morpholin-4-ylphenyl]amino}pyrimidin-4-yl)amino]phenyl}methanol
ASF
ASF
Name:3-(BUTYLSULPHONYL)-PROPANOIC ACID
Formula:C7 H14 O4 S
SMILES:O=S(=O)(CCC(=O)O)CCCC
InChi:InChI=1S/C7H14O4S/c1-2-3-5-12(10,11)6-4-7(8)9/h2-6H2,1H3,(H,8,9)
Definition date:2007-10-24
Last modified:2011-06-04
Identifier:3-(butylsulfonyl)propanoic acid
ASV
ASV
Name:DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-D-VINYLGLYCINE
Formula:C13 H21 N3 O6 S
SMILES:O=C(NC(C=C)C(=O)O)C(NC(=O)CCCC(C(=O)O)N)CS
InChi:InChI=1S/C13H21N3O6S/c1-2-8(13(21)22)16-11(18)9(6-23)15-10(17)5-3-4-7(14)12(19)20/h2,7-9,23H,1,3-6,14H2,(H,15,17)(H,16,18)(H,19,20)(H,21,22)/t7-,8+,9-/m0/s1
Definition date:2003-02-03
Last modified:2011-06-04
Identifier:N~6~-[(1R)-2-{[(1R)-1-carboxyprop-2-en-1-yl]amino}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine

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