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GGV
GGV
Name:methyl [(1S)-1-{[(1R,3S,4S)-3-hydroxy-4-{[(2S)-2-(3-{[6-(1-hydroxy-1-methylethyl)pyridin-2-yl]methyl}-2-oxo-2,3-dihydro-1H-imidazol-1-yl)-3,3-dimethylbutanoyl]amino}-5-phenyl-1-(4-pyridin-2-ylbenzyl)pentyl]carbamoyl}-2,2-dimethylpropyl]carbamate
Formula:C49 H63 N7 O7
SMILES:O=C(OC)NC(C(=O)NC(Cc2ccc(c1ncccc1)cc2)CC(O)C(NC(=O)C(N3C=CN(C3=O)Cc4nc(ccc4)C(O)(C)C)C(C)(C)C)Cc5ccccc5)C(C)(C)C
InChi:InChI=1S/C49H63N7O7/c1-47(2,3)41(54-45(60)63-9)43(58)52-36(28-33-21-23-34(24-22-33)37-19-13-14-25-50-37)30-39(57)38(29-32-16-11-10-12-17-32)53-44(59)42(48(4,5)6)56-27-26-55(46(56)61)31-35-18-15-20-40(51-35)49(7,8)62/h10-27,36,38-39,41-42,57,62H,28-31H2,1-9H3,(H,52,58)(H,53,59)(H,54,60)/t36-,38+,39+,41-,42-/m1/s1
Definition date:2009-05-13
Last modified:2011-06-04
Identifier:methyl [(1S)-1-{[(1R,3S,4S)-3-hydroxy-4-{[(2S)-2-(3-{[6-(1-hydroxy-1-methylethyl)pyridin-2-yl]methyl}-2-oxo-2,3-dihydro-1H-imidazol-1-yl)-3,3-dimethylbutanoyl]amino}-5-phenyl-1-(4-pyridin-2-ylbenzyl)pentyl]carbamoyl}-2,2-dimethylpropyl]carbamate
TIT
TIT
Name:N-((3S,4S)-5-[(4-BROMOBENZYL)OXY]-3-HYDROXY-4-{[N-(PYRIDIN-2-YLCARBONYL)-L-VALYL]AMINO}PENTANOYL)-L-ALANYL-L-LEUCINAMIDE
Formula:C32 H45 Br N6 O7
SMILES:O=C(NC(C(=O)NC(C(O)CC(=O)NC(C(=O)NC(C(=O)N)CC(C)C)C)COCc1ccc(Br)cc1)C(C)C)c2ncccc2
InChi:InChI=1S/C32H45BrN6O7/c1-18(2)14-24(29(34)42)37-30(43)20(5)36-27(41)15-26(40)25(17-46-16-21-9-11-22(33)12-10-21)38-32(45)28(19(3)4)39-31(44)23-8-6-7-13-35-23/h6-13,18-20,24-26,28,40H,14-17H2,1-5H3,(H2,34,42)(H,36,41)(H,37,43)(H,38,45)(H,39,44)/t20-,24-,25-,26-,28-/m0/s1
Definition date:2004-08-18
Last modified:2011-06-04
Identifier:N-[(1S)-1-{[(1S,2S)-1-{[(4-bromobenzyl)oxy]methyl}-4-{[(1S)-2-{[(1S)-1-carbamoyl-3-methylbutyl]amino}-1-methyl-2-oxoethyl]amino}-2-hydroxy-4-oxobutyl]carbamoyl}-2-methylpropyl]pyridine-2-carboxamide (non-preferred name)
GIA
GIA
Name:3-fluoro-N-(naphthalen-2-ylcarbonyl)-D-phenylalanine
Formula:C20 H16 F N O3
SMILES:Fc1cc(ccc1)CC(C(=O)O)NC(=O)c3cc2ccccc2cc3
InChi:InChI=1S/C20H16FNO3/c21-17-7-3-4-13(10-17)11-18(20(24)25)22-19(23)16-9-8-14-5-1-2-6-15(14)12-16/h1-10,12,18H,11H2,(H,22,23)(H,24,25)/t18-/m1/s1
Definition date:2009-07-07
Last modified:2011-06-04
Identifier:3-fluoro-N-(naphthalen-2-ylcarbonyl)-D-phenylalanine
GIP
GIP
Name:S-(N-HYDROXY-N-IODOPHENYLCARBAMOYL)GLUTATHIONE
Formula:C17 H23 I N4 O8 S
SMILES:Ic1ccc(N(O)C(O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)cc1
InChi:InChI=1S/C17H23IN4O8S/c18-9-1-3-10(4-2-9)22(30)17(29)31-8-12(15(26)20-7-14(24)25)21-13(23)6-5-11(19)16(27)28/h1-4,11-12,17,29-30H,5-8,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/t11-,12-,17+/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:L-gamma-glutamyl-S-{(R)-hydroxy[hydroxy(4-iodophenyl)amino]methyl}-L-cysteinylglycine
GIR
GIR
Name:GIRODAZOLE
Formula:C6 H11 Cl N4 O
SMILES:ClC(C(O)c1cnc(N)n1)CN
InChi:InChI=1S/C6H11ClN4O/c7-3(1-8)5(12)4-2-10-6(9)11-4/h2-3,5,12H,1,8H2,(H3,9,10,11)/t3-,5+/m0/s1
Definition date:2007-03-01
Last modified:2011-06-04
Identifier:(1S,2S)-3-amino-1-(2-amino-1H-imidazol-5-yl)-2-chloropropan-1-ol
GJZ
GJZ
Name:(1R,2S)-2-phenylcyclopropanamine
Formula:C9 H11 N
SMILES:c1cccc(c1)C2CC2N
InChi:InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1
Definition date:2010-04-01
Last modified:2011-06-04
Identifier:(1R,2S)-2-phenylcyclopropanamine
TME
TME
Name:PROPANE
Formula:C3 H8
SMILES:CCC
InChi:InChI=1S/C3H8/c1-3-2/h3H2,1-2H3
Definition date:2001-01-24
Last modified:2011-06-04
Identifier:propane
GLE
GLE
Name:1-DECYL-3-TRIFLUORO ETHYL-SN-GLYCERO-2-PHOSPHOMETHANOL
Formula:C16 H32 F3 O6 P
SMILES:FC(F)(F)COCC(OP(=O)(OC)O)COCCCCCCCCCC
InChi:InChI=1S/C16H32F3O6P/c1-3-4-5-6-7-8-9-10-11-23-12-15(25-26(20,21)22-2)13-24-14-16(17,18)19/h15H,3-14H2,1-2H3,(H,20,21)/t15-/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(1S)-2-(decyloxy)-1-[(2,2,2-trifluoroethoxy)methyl]ethyl methyl hydrogen (S)-phosphate
TNB
TNB
Name:S-(2,3,6-TRINITROPHENYL)CYSTEINE
Formula:C9 H8 N4 O8 S
SMILES:[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1SCC(C(=O)O)N)[N+]([O-])=O
InChi:InChI=1S/C9H8N4O8S/c10-5(9(14)15)3-22-8-6(12(18)19)1-4(11(16)17)2-7(8)13(20)21/h1-2,5H,3,10H2,(H,14,15)/t5-/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:S-(2,4,6-trinitrophenyl)-L-cysteine
TNK
TNK
Name:6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL
Formula:C22 H24 N2 O3
SMILES:O=C1C(=C(N(C(=O)N1)COCc2ccccc2)Cc3ccccc3)C(C)C
InChi:InChI=1S/C22H24N2O3/c1-16(2)20-19(13-17-9-5-3-6-10-17)24(22(26)23-21(20)25)15-27-14-18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3,(H,23,25,26)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:6-benzyl-1-[(benzyloxy)methyl]-5-(1-methylethyl)pyrimidine-2,4(1H,3H)-dione
TNT
TNT
Name:1,3-BIS(AMIDINOPHENOXY)PROPANE
Formula:C17 H20 N4 O2
SMILES:O(c1ccc(cc1)C(=[N@H])N)CCCOc2ccc(C(=[N@H])N)cc2
InChi:InChI=1S/C17H20N4O2/c18-16(19)12-2-6-14(7-3-12)22-10-1-11-23-15-8-4-13(5-9-15)17(20)21/h2-9H,1,10-11H2,(H3,18,19)(H3,20,21)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:4,4'-[propane-1,3-diylbis(oxy)]dibenzenecarboximidamide
GNB
GNB
Name:S-P-NITROBENZYLOXYCARBONYLGLUTATHIONE
Formula:C18 H24 N4 O10 S
SMILES:O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC(OCc1ccc(cc1)[N+]([O-])=O)O
InChi:InChI=1S/C18H24N4O10S/c19-12(17(27)28)5-6-14(23)21-13(16(26)20-7-15(24)25)9-33-18(29)32-8-10-1-3-11(4-2-10)22(30)31/h1-4,12-13,18,29H,5-9,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/t12-,13-,18?/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:L-gamma-glutamyl-S-{(S)-hydroxy[(4-nitrobenzyl)oxy]methyl}-L-cysteinylglycine
GNF
GNF
Name:N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-L-ALANINAMIDE
Formula:C25 H32 N4 O3
SMILES:O=C(NCCNc1ccc(OC)cc1)C(Nc2nc3ccccc3o2)CC4CCCCC4
InChi:InChI=1S/C25H32N4O3/c1-31-20-13-11-19(12-14-20)26-15-16-27-24(30)22(17-18-7-3-2-4-8-18)29-25-28-21-9-5-6-10-23(21)32-25/h5-6,9-14,18,22,26H,2-4,7-8,15-17H2,1H3,(H,27,30)(H,28,29)/t22-/m0/s1
Definition date:2006-03-22
Last modified:2011-06-04
Identifier:N~2~-1,3-benzoxazol-2-yl-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-L-alaninamide
TPA
TPA
Name:TRANS-2-PHENYLCYCLOPROPYLAMINE
Formula:C9 H12 N
SMILES:c1cccc(c1)C2CC2[NH3+]
InChi:InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/p+1/t8-,9+/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(1S,2R)-2-phenylcyclopropanaminium
GNQ
GNQ
Name:N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE
Formula:C25 H31 F3 N4 O6 S
SMILES:O=C(NC(C(=O)NC(C)CNc1ccc(OC(F)(F)F)cc1)CS(=O)(=O)Cc2ccccc2)N3CCOCC3
InChi:InChI=1S/C25H31F3N4O6S/c1-18(15-29-20-7-9-21(10-8-20)38-25(26,27)28)30-23(33)22(31-24(34)32-11-13-37-14-12-32)17-39(35,36)16-19-5-3-2-4-6-19/h2-10,18,22,29H,11-17H2,1H3,(H,30,33)(H,31,34)/t18-,22-/m0/s1
Definition date:2006-06-28
Last modified:2011-06-04
Identifier:N-[(1R)-1-[(benzylsulfonyl)methyl]-2-{[(1S)-1-methyl-2-{[4-(trifluoromethoxy)phenyl]amino}ethyl]amino}-2-oxoethyl]morpholine-4-carboxamide
TQI
TQI
Name:N-{[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]SULFONYL}-L-TRYPTOPHAN
Formula:C18 H14 Cl F3 N2 O4 S
SMILES:OC(=O)[CH](Cc1c[nH]c2ccccc12)N[S](=O)(=O)c3ccc(Cl)c(c3)C(F)(F)F
InChi:InChI=1S/C18H14ClF3N2O4S/c19-14-6-5-11(8-13(14)18(20,21)22)29(27,28)24-16(17(25)26)7-10-9-23-15-4-2-1-3-12(10)15/h1-6,8-9,16,23-24H,7H2,(H,25,26)/t16-/m0/s1
Definition date:2011-01-20
Last modified:2011-06-04
Identifier:(2S)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-3-(1H-indol-3-yl)propanoic acid
TR1
TR1
Name:2-(2-{2-[(BIPHENYL-4-YLMETHYL)-AMINO]-3-MERCAPTO-PENTANOYLAMINO}-ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER
Formula:C24 H31 N3 O4 S
SMILES:O=C(OC)C(NC(=O)CNC(=O)C(NCc1ccc(cc1)c2ccccc2)CS)C(C)C
InChi:InChI=1S/C24H31N3O4S/c1-16(2)22(24(30)31-3)27-21(28)14-26-23(29)20(15-32)25-13-17-9-11-19(12-10-17)18-7-5-4-6-8-18/h4-12,16,20,22,25,32H,13-15H2,1-3H3,(H,26,29)(H,27,28)/t20-,22-/m0/s1
Definition date:1999-08-03
Last modified:2011-06-04
Identifier:methyl N-(biphenyl-4-ylmethyl)-L-cysteinylglycyl-L-valinate
TRC
TRC
Name:TRICARBALLYLIC ACID
Formula:C6 H8 O6
SMILES:O=C(O)CC(C(=O)O)CC(=O)O
InChi:InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:propane-1,2,3-tricarboxylic acid
GPR
GPR
Name:(9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE
Formula:C24 H27 N3 O7 S
SMILES:O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC3c1ccccc1c2c(cccc2)C3O
InChi:InChI=1S/C24H27N3O7S/c25-17(24(33)34)9-10-19(28)27-18(23(32)26-11-20(29)30)12-35-22-16-8-4-2-6-14(16)13-5-1-3-7-15(13)21(22)31/h1-8,17-18,21-22,31H,9-12,25H2,(H,26,32)(H,27,28)(H,29,30)(H,33,34)/t17-,18-,21+,22+/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:L-gamma-glutamyl-S-[(9R,10R)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine
GPS
GPS
Name:L-gamma-glutamyl-S-[(9S,10S)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine
Formula:C24 H27 N3 O7 S
SMILES:O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC3c1ccccc1c2c(cccc2)C3O
InChi:InChI=1S/C24H27N3O7S/c25-17(24(33)34)9-10-19(28)27-18(23(32)26-11-20(29)30)12-35-22-16-8-4-2-6-14(16)13-5-1-3-7-15(13)21(22)31/h1-8,17-18,21-22,31H,9-12,25H2,(H,26,32)(H,27,28)(H,29,30)(H,33,34)/t17-,18-,21-,22-/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:L-gamma-glutamyl-S-[(9S,10S)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine
TRZ
TRZ
Name:TRAZEOLIDE
Formula:C20 H28 O3
SMILES:O=C(O)CCC(=O)c1cc2c(cc1C)C(C(C2C(C)C)C)(C)C
InChi:InChI=1S/C20H28O3/c1-11(2)19-13(4)20(5,6)16-9-12(3)14(10-15(16)19)17(21)7-8-18(22)23/h9-11,13,19H,7-8H2,1-6H3,(H,22,23)/t13-,19-/m0/s1
Definition date:1999-10-07
Last modified:2011-06-04
Identifier:4-oxo-4-[(2S,3S)-1,1,2,6-tetramethyl-3-(1-methylethyl)-2,3-dihydro-1H-inden-5-yl]butanoic acid
TS4
TS4
Name:GLUTATHIONYLSPERMIDINE DISULFIDE
Formula:C34 H66 N12 O10 S2
SMILES:O=C(NC(C(=O)NCC(=O)NCCCNCCCCN)CSSCC(C(=O)NCC(=O)NCCCNCCCCN)NC(=O)CCC(C(=O)O)N)CCC(C(=O)O)N
InChi:InChI=1S/C34H66N12O10S2/c35-11-1-3-13-39-15-5-17-41-29(49)19-43-31(51)25(45-27(47)9-7-23(37)33(53)54)21-57-58-22-26(46-28(48)10-8-24(38)34(55)56)32(52)44-20-30(50)42-18-6-16-40-14-4-2-12-36/h23-26,39-40H,1-22,35-38H2,(H,41,49)(H,42,50)(H,43,51)(H,44,52)(H,45,47)(H,46,48)(H,53,54)(H,55,56)/t23-,24-,25+,26+/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(14R,19R,24R)-1,24-diamino-19-{[2-({3-[(4-aminobutyl)amino]propyl}amino)-2-oxoethyl]carbamoyl}-14-{[(4R)-4-amino-4-carboxybutanoyl]amino}-10,13,21-trioxo-16,17-dithia-5,9,12,20-tetraazapentacosan-25-oic acid (non-preferred name)
TS5
TS5
Name:GLUTATHIONYLSPERMIDINE
Formula:C17 H34 N6 O5 S
SMILES:O=C(NCC(=O)NCCCNCCCCN)C(NC(=O)CCC(C(=O)O)N)CS
InChi:InChI=1S/C17H34N6O5S/c18-6-1-2-7-20-8-3-9-21-15(25)10-22-16(26)13(11-29)23-14(24)5-4-12(19)17(27)28/h12-13,20,29H,1-11,18-19H2,(H,21,25)(H,22,26)(H,23,24)(H,27,28)/t12-,13-/m0/s1
Definition date:2001-02-28
Last modified:2011-06-04
Identifier:L-gamma-glutamyl-L-cysteinyl-N-{3-[(4-aminobutyl)amino]propyl}glycinamide
TSM
TSM
Name:2-methylpropane-2-sulfonic acid
Formula:C4 H10 O3 S
SMILES:O=S(=O)(O)C(C)(C)C
InChi:InChI=1S/C4H10O3S/c1-4(2,3)8(5,6)7/h1-3H3,(H,5,6,7)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:2-methylpropane-2-sulfonic acid
GRA
GRA
Name:glutaryl-coenzyme A
Formula:C26 H42 N7 O19 P3 S
SMILES:O=C(O)CCCC(=O)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
InChi:InChI=1S/C26H42N7O19P3S/c1-26(2,21(39)24(40)29-7-6-15(34)28-8-9-56-17(37)5-3-4-16(35)36)11-49-55(46,47)52-54(44,45)48-10-14-20(51-53(41,42)43)19(38)25(50-14)33-13-32-18-22(27)30-12-31-23(18)33/h12-14,19-21,25,38-39H,3-11H2,1-2H3,(H,28,34)(H,29,40)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t14-,19-,20-,21+,25-/m1/s1
Definition date:2009-03-19
Last modified:2011-06-04
Identifier:(3R,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide (non-preferred name)

222415

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