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CM8
CM8
Name:N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide
Formula:C31 H37 F3 N4 O4 S
SMILES:O=S4(=O)N(c3cc(C(=O)NC(Cc1ccccc1)C(O)CNCc2cccc(c2)C(F)(F)F)cc(NCC)c3)CCCC4
InChi:InChI=1S/C31H37F3N4O4S/c1-2-36-26-17-24(18-27(19-26)38-13-6-7-14-43(38,41)42)30(40)37-28(16-22-9-4-3-5-10-22)29(39)21-35-20-23-11-8-12-25(15-23)31(32,33)34/h3-5,8-12,15,17-19,28-29,35-36,39H,2,6-7,13-14,16,20-21H2,1H3,(H,37,40)/t28-,29+/m0/s1
Definition date:2008-02-05
Last modified:2011-06-04
Identifier:N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide
CM9
CM9
Name:CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE
Formula:C18 H27 N3 O2 S
SMILES:O=C(Nc1ccncc1)C(NC(=O)C2CCC(C)CC2)CCSC
InChi:InChI=1S/C18H27N3O2S/c1-13-3-5-14(6-4-13)17(22)21-16(9-12-24-2)18(23)20-15-7-10-19-11-8-15/h7-8,10-11,13-14,16H,3-6,9,12H2,1-2H3,(H,21,22)(H,19,20,23)/t13-,14+,16-/m0/s1
Definition date:2008-08-12
Last modified:2011-06-04
Identifier:cis-4-methyl-N-[(1S)-3-(methylsulfanyl)-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide
CMA
CMA
Name:N2-(CARBOXYETHYL)-L-ARGININE
Formula:C9 H18 N4 O4
SMILES:O=C(O)CCNC(C(=O)O)CCCNC(=[N@H])N
InChi:InChI=1S/C9H18N4O4/c10-9(11)13-4-1-2-6(8(16)17)12-5-3-7(14)15/h6,12H,1-5H2,(H,14,15)(H,16,17)(H4,10,11,13)/t6-/m0/s1
Definition date:2001-07-30
Last modified:2011-06-04
Identifier:N~2~-(2-carboxyethyl)-L-arginine
CMB
CMB
Name:1-(3-carbamimidoylbenzyl)-N-(3,5-dichlorobenzyl)-4-methyl-1H-indole-2-carboxamide
Formula:C25 H22 Cl2 N4 O
SMILES:Cc1cccc2n(Cc3cccc(c3)C(N)=N)c(cc12)C(=O)NCc4cc(Cl)cc(Cl)c4
InChi:InChI=1S/C25H22Cl2N4O/c1-15-4-2-7-22-21(15)12-23(25(32)30-13-17-9-19(26)11-20(27)10-17)31(22)14-16-5-3-6-18(8-16)24(28)29/h2-12H,13-14H2,1H3,(H3,28,29)(H,30,32)
Definition date:2002-05-15
Last modified:2011-06-04
Identifier:1-[(3-carbamimidoylphenyl)methyl]-N-[(3,5-dichlorophenyl)methyl]-4-methyl-indole-2-carboxamide
CMD
CMD
Name:3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-DOXORUBICIN
Formula:C32 H34 N2 O12
SMILES:N#CC6N(C5C(O)C(OC(OC4c3c(O)c2C(=O)c1c(OC)cccc1C(=O)c2c(O)c3CC(O)(C(=O)CO)C4)C5)C)CCOC6
InChi:InChI=1S/C32H34N2O12/c1-14-27(37)18(34-6-7-44-13-15(34)11-33)8-22(45-14)46-20-10-32(42,21(36)12-35)9-17-24(20)31(41)26-25(29(17)39)28(38)16-4-3-5-19(43-2)23(16)30(26)40/h3-5,14-15,18,20,22,27,35,37,39,41-42H,6-10,12-13H2,1-2H3/t14-,15-,18-,20-,22-,27+,32-/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-[(3S)-3-cyanomorpholin-4-yl]-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside
CMF
CMF
Name:3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-2-OXOETHYL)-2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID
Formula:C27 H30 N2 O4
SMILES:O=C(N1CCOCC1)Cn4c2cc(C(=O)O)ccc2c(c4c3ccccc3)C5CCCCC5
InChi:InChI=1S/C27H30N2O4/c30-24(28-13-15-33-16-14-28)18-29-23-17-21(27(31)32)11-12-22(23)25(19-7-3-1-4-8-19)26(29)20-9-5-2-6-10-20/h2,5-6,9-12,17,19H,1,3-4,7-8,13-16,18H2,(H,31,32)
Definition date:2005-05-06
Last modified:2011-06-04
Identifier:3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenyl-1H-indole-6-carboxylic acid
CMG
CMG
Name:6-O-CYCLOHEXYLMETHYL GUANINE
Formula:C12 H17 N5 O
SMILES:n2c1c(ncn1)c(nc2N)OCC3CCCCC3
InChi:InChI=1S/C12H17N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H3,13,14,15,16,17)
Definition date:2000-05-11
Last modified:2011-06-04
Identifier:6-(cyclohexylmethoxy)-9H-purin-2-amine
CMI
CMI
Name:1-(3-CARBAMIMIDOYL-BENZYL)-4-METHYL-1H-INDOLE-2-CARBOXYLIC ACID 3,5-DIMETHYL-BENZYLAMIDE
Formula:C27 H28 N4 O
SMILES:O=C(NCc1cc(cc(c1)C)C)c3cc2c(cccc2n3Cc4cc(C(=[N@H])N)ccc4)C
InChi:InChI=1S/C27H28N4O/c1-17-10-18(2)12-21(11-17)15-30-27(32)25-14-23-19(3)6-4-9-24(23)31(25)16-20-7-5-8-22(13-20)26(28)29/h4-14H,15-16H2,1-3H3,(H3,28,29)(H,30,32)
Definition date:2002-05-16
Last modified:2011-06-04
Identifier:1-(3-carbamimidoylbenzyl)-N-(3,5-dimethylbenzyl)-4-methyl-1H-indole-2-carboxamide
CMJ
CMJ
Name:(20S)-20-methyldotetracontane
Formula:C43 H88
SMILES:C(CCCCCCCC(C)CCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCC
InChi:InChI=1S/C43H88/c1-4-6-8-10-12-14-16-18-20-22-23-24-26-28-30-32-34-36-38-40-42-43(3)41-39-37-35-33-31-29-27-25-21-19-17-15-13-11-9-7-5-2/h43H,4-42H2,1-3H3/t43-/m0/s1
Definition date:2008-12-31
Last modified:2011-06-04
Identifier:20-methyldotetracontane
CMM
CMM
Name:2-[2-(1-CARBAMIMIDOYL-PIPERIDIN-3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL-1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTER
Formula:C30 H35 N5 O6
SMILES:O=C(OC)C(NC(=O)CC1CCCN(C(=[N@H])N)C1)Cc2ccc(cc2)CCc3cccc4c3ncc4C(=O)C(=O)O
InChi:InChI=1S/C30H35N5O6/c1-41-29(40)24(34-25(36)15-20-4-3-13-35(17-20)30(31)32)14-19-9-7-18(8-10-19)11-12-21-5-2-6-22-23(16-33-26(21)22)27(37)28(38)39/h2,5-10,16,20,24,33H,3-4,11-15,17H2,1H3,(H3,31,32)(H,34,36)(H,38,39)/t20-,24+/m1/s1
Definition date:2002-07-23
Last modified:2011-06-04
Identifier:[7-(2-{4-[(2S)-2-({[(3R)-1-carbamimidoylpiperidin-3-yl]acetyl}amino)-3-methoxy-3-oxopropyl]phenyl}ethyl)-1H-indol-3-yl](oxo)acetic acid
S9L
S9L
Name:2-[2-(2-HYDROXYETHOXY)ETHOXY]ETHYL DIHYDROGEN PHOSPHATE
Formula:C6 H15 O7 P
SMILES:O=P(OCCOCCOCCO)(O)O
InChi:InChI=1S/C6H15O7P/c7-1-2-11-3-4-12-5-6-13-14(8,9)10/h7H,1-6H2,(H2,8,9,10)
Definition date:2006-11-16
Last modified:2011-06-04
Identifier:2-[2-(2-hydroxyethoxy)ethoxy]ethyl dihydrogen phosphate
CMR
CMR
Name:2'-DEOXY-CYTIDINE-5'-RP-MONOMETHYLPHOSPHONATE
Formula:C10 H16 N3 O6 P
SMILES:O=C1N=C(N)C=CN1C2OC(C(O)C2)COP(=O)(O)C
InChi:InChI=1S/C10H16N3O6P/c1-20(16,17)18-5-7-6(14)4-9(19-7)13-3-2-8(11)12-10(13)15/h2-3,6-7,9,14H,4-5H2,1H3,(H,16,17)(H2,11,12,15)/t6-,7+,9+/m0/s1
Definition date:2001-10-09
Last modified:2011-06-04
Identifier:2'-deoxy-5'-O-[(S)-hydroxy(methyl)phosphoryl]cytidine
CMW
CMW
Name:3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-4-ylcarbamate
Formula:C16 H19 N3 O4 S
SMILES:O=C(OCCCNS(=O)(=O)c1ccc(cc1)C)Nc2ccncc2
InChi:InChI=1S/C16H19N3O4S/c1-13-3-5-15(6-4-13)24(21,22)18-9-2-12-23-16(20)19-14-7-10-17-11-8-14/h3-8,10-11,18H,2,9,12H2,1H3,(H,17,19,20)
Definition date:2008-08-12
Last modified:2011-06-04
Identifier:3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-4-ylcarbamate
CMX
CMX
Name:CARBOXYMETHYLDETHIA COENZYME *A
Formula:C23 H38 N7 O18 P3
SMILES:O=C(O)CCCNC(=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/C23H38N7O18P3/c1-23(2,18(35)21(36)26-7-5-13(31)25-6-3-4-14(32)33)9-45-51(42,43)48-50(40,41)44-8-12-17(47-49(37,38)39)16(34)22(46-12)30-11-29-15-19(24)27-10-28-20(15)30/h10-12,16-18,22,34-35H,3-9H2,1-2H3,(H,25,31)(H,26,36)(H,32,33)(H,40,41)(H,42,43)(H2,24,27,28)(H2,37,38,39)/t12-,16-,17-,18+,22-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(3S,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-dioxo-2,4,6-trioxa-11,15-diaza-3,5-diphosphanonadecan-19-oic acid 3,5-dioxide (non-preferred name)
CN2
CN2
Name:2-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY-9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN-7-YL]ACETAMIDE
Formula:C22 H25 N O6 S
SMILES:O=C(NC3C1=CC(=O)C(OC)=CC=C1c2c(cc(OC)c(OC)c2OC)CC3)CS
InChi:InChI=1S/C22H25NO6S/c1-26-17-8-6-13-14(10-16(17)24)15(23-19(25)11-30)7-5-12-9-18(27-2)21(28-3)22(29-4)20(12)13/h6,8-10,15,30H,5,7,11H2,1-4H3,(H,23,25)/t15-/m0/s1
Definition date:2004-03-04
Last modified:2011-06-04
Identifier:2-sulfanyl-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
SA3
SA3
Name:2,10-DIHYDROXY-12-(BETA-D-GLUCOPYRANOSYL)-6,7,12,13-TETRAHYDROINDOLO[2,3-A]PYRROLO[3,4-C]CARBAZOLE-5,7-DIONE
Formula:C26 H21 N3 O9
SMILES:O=C2c1c6c(c4c(c1C(=O)N2)c3ccc(O)cc3n4)n(c5cc(O)ccc56)C7OC(C(O)C(O)C7O)CO
InChi:InChI=1S/C26H21N3O9/c30-7-14-21(33)22(34)23(35)26(38-14)29-13-6-9(32)2-4-11(13)16-18-17(24(36)28-25(18)37)15-10-3-1-8(31)5-12(10)27-19(15)20(16)29/h1-6,14,21-23,26-27,30-35H,7H2,(H,28,36,37)/t14-,21-,22+,23-,26?/m1/s1
Definition date:2004-05-25
Last modified:2011-06-04
Identifier:12-alpha-D-glucopyranosyl-2,10-dihydroxy-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione
SAB
SAB
Name:4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDE
Formula:C11 H17 N3 O3 S
SMILES:O=S(=O)(N)c1ccc(C(=O)NCCCCN)cc1
InChi:InChI=1S/C11H17N3O3S/c12-7-1-2-8-14-11(15)9-3-5-10(6-4-9)18(13,16)17/h3-6H,1-2,7-8,12H2,(H,14,15)(H2,13,16,17)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:N-(4-aminobutyl)-4-sulfamoylbenzamide
SAD
SAD
Name:BETA-METHYLENE-SELENAZOLE-4-CARBOXYAMIDE-ADENINE DINUCLEOTIDE
Formula:C20 H27 N7 O13 P2 Se
SMILES:O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)CP(=O)(O)OCC5OC(c4nc(c[se]4)C(=O)N)C(O)C5O
InChi:InChI=1S/C20H27N7O13P2Se/c21-16-10-18(24-4-23-16)27(5-25-10)20-14(31)12(29)9(40-20)2-38-42(35,36)6-41(33,34)37-1-8-11(28)13(30)15(39-8)19-26-7(3-43-19)17(22)32/h3-5,8-9,11-15,20,28-31H,1-2,6H2,(H2,22,32)(H,33,34)(H,35,36)(H2,21,23,24)/t8-,9-,11-,12+,13+,14+,15-,20-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:[(2R,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4S,5R)-5-(4-carbamoyl-1,3-selenazol-2-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl methanediylbis[hydrogen (R,S)-phosphonate] (non-preferred name)
SAE
SAE
Name:SELENAZOLE-4-CARBOXYAMIDE-ADENINE DINUCLEOTIDE
Formula:C19 H25 N7 O14 P2 Se
SMILES:O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OP(=O)(O)OCC5OC(c4nc(c[se]4)C(=O)N)C(O)C5O
InChi:InChI=1S/C19H25N7O14P2Se/c20-15-9-17(23-4-22-15)26(5-24-9)19-13(30)11(28)8(39-19)2-37-42(34,35)40-41(32,33)36-1-7-10(27)12(29)14(38-7)18-25-6(3-43-18)16(21)31/h3-5,7-8,10-14,19,27-30H,1-2H2,(H2,21,31)(H,32,33)(H,34,35)(H2,20,22,23)/t7-,8-,10-,11-,12-,13-,14-,19-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-5-(4-carbamoyl-1,3-selenazol-2-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
1X5
1X5
Name:2-[(cyclopropylcarbonyl)amino]-5-[methyl(pyridin-3-ylmethyl)amino]benzoic acid
Formula:C18 H19 N3 O3
SMILES:CN(Cc1cccnc1)c2ccc(NC(=O)C3CC3)c(c2)C(O)=O
InChi:InChI=1S/C18H19N3O3/c1-21(11-12-3-2-8-19-10-12)14-6-7-16(15(9-14)18(23)24)20-17(22)13-4-5-13/h2-3,6-10,13H,4-5,11H2,1H3,(H,20,22)(H,23,24)
Definition date:2009-12-03
Last modified:2011-06-04
Identifier:2-(cyclopropylcarbonylamino)-5-[methyl(pyridin-3-ylmethyl)amino]benzoic acid
SAI
SAI
Name:S-ADENOSYL-L-HOMOSELENOCYSTEINE
Formula:C14 H20 N6 O5 Se
SMILES:O=C(O)C(N)CC[Se]CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C14H20N6O5Se/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
Definition date:2001-05-16
Last modified:2011-06-04
Identifier:5'-Se-[(3S)-3-amino-3-carboxypropyl]-5'-selenoadenosine
SAM
SAM
Name:S-ADENOSYLMETHIONINE
Formula:C15 H22 N6 O5 S
SMILES:[O-]C(=O)C(N)CC[S+](C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(2S)-2-amino-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)sulfonio]butanoate (non-preferred name)
SAV
SAV
Name:N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
Formula:C21 H22 N6 O3
SMILES:O(c1cc(cc(OC)c1OC)Nc2nccc(n2)Nc3ccc4c(c3)nnc4C)C
InChi:InChI=1S/C21H22N6O3/c1-12-15-6-5-13(9-16(15)27-26-12)23-19-7-8-22-21(25-19)24-14-10-17(28-2)20(30-4)18(11-14)29-3/h5-11H,1-4H3,(H,26,27)(H2,22,23,24,25)
Definition date:2008-03-13
Last modified:2011-06-04
Identifier:N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
SAW
SAW
Name:(1R,3S,5R,7S)-N-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-3-hydroxytricyclo[3.3.1.1~3,7~]decane-1-carboxamide
Formula:C31 H45 N3 O4 S
SMILES:O=S(=O)(c2c1cccc(N(C)C)c1ccc2)NCCCCCCCCNC(=O)C34CC5CC(O)(C3)CC(C4)C5
InChi:InChI=1S/C31H45N3O4S/c1-34(2)27-13-9-12-26-25(27)11-10-14-28(26)39(37,38)33-16-8-6-4-3-5-7-15-32-29(35)30-18-23-17-24(19-30)21-31(36,20-23)22-30/h9-14,23-24,33,36H,3-8,15-22H2,1-2H3,(H,32,35)/t23-,24+,30+,31-
Definition date:2010-08-31
Last modified:2011-06-04
Identifier:(1R,3S,5R,7S)-N-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-3-hydroxytricyclo[3.3.1.1~3,7~]decane-1-carboxamide
SB1
SB1
Name:(21S)-1AZA-4,4-DIMETHYL-6,19-DIOXA-2,3,7,20-TETRAOXOBICYCLO[19.4.0] PENTACOSANE
Formula:C24 H39 N O6
SMILES:O=C1OCCCCCCCCCCCC(=O)OCC(C(=O)C(=O)N2C1CCCC2)(C)C
InChi:InChI=1S/C24H39NO6/c1-24(2)18-31-20(26)15-10-8-6-4-3-5-7-9-13-17-30-23(29)19-14-11-12-16-25(19)22(28)21(24)27/h19H,3-18H2,1-2H3/t19-/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(24aS)-17,17-dimethylhexadecahydropyrido[2,1-c][1,9,4]dioxazacyclohenicosine-1,14,18,19(3H,21H)-tetrone

236060

건을2025-05-14부터공개중

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