 | | CXF | | Name: | CYCLOHEXYLFORMAMIDE | | Formula: | C7 H13 N O | | SMILES: | O=CNC1CCCCC1 | | InChi: | InChI=1S/C7H13NO/c9-6-8-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,8,9) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | N-cyclohexylformamide |
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 | | SII | | Name: | N-(4-{[4-(cyclohexylamino)-1-(3-fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-3-en-8-yl]methyl}phenyl)acetamide | | Formula: | C28 H34 F N5 O2 | | SMILES: | Fc5cccc(N2C(=O)N=C(NC1CCCCC1)C23CCN(CC3)Cc4ccc(NC(=O)C)cc4)c5 | | InChi: | InChI=1S/C28H34FN5O2/c1-20(35)30-24-12-10-21(11-13-24)19-33-16-14-28(15-17-33)26(31-23-7-3-2-4-8-23)32-27(36)34(28)25-9-5-6-22(29)18-25/h5-6,9-13,18,23H,2-4,7-8,14-17,19H2,1H3,(H,30,35)(H,31,32,36) | | Definition date: | 2008-08-15 | | Last modified: | 2011-06-04 | | Identifier: | N-(4-{[4-(cyclohexylamino)-1-(3-fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-3-en-8-yl]methyl}phenyl)acetamide |
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 | | SIN | | Name: | SUCCINIC ACID | | Formula: | C4 H6 O4 | | SMILES: | O=C(O)CCC(=O)O | | InChi: | InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | butanedioic acid |
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 | | CXL | | Name: | CYCLOHEXANOL | | Formula: | C6 H12 O | | SMILES: | OC1CCCCC1 | | InChi: | InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | cyclohexanol |
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 | | CXO | | Name: | CYCLOHEXANE-1,2-DIONE | | Formula: | C6 H8 O2 | | SMILES: | O=C1C(=O)CCCC1 | | InChi: | InChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1-4H2 | | Definition date: | 2007-04-20 | | Last modified: | 2011-06-04 | | Identifier: | cyclohexane-1,2-dione |
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 | | CXY | | Name: | CYTIDINE-5'-DIPHOSPHO-BETA-D-XYLOSE | | Formula: | C14 H23 N3 O15 P2 | | SMILES: | O=P(OC1OCC(O)C(O)C1O)(O)OP(=O)(O)OCC3OC(N2C=CC(=NC2=O)N)C(O)C3O | | InChi: | InChI=1S/C14H23N3O15P2/c15-7-1-2-17(14(23)16-7)12-10(21)9(20)6(30-12)4-29-33(24,25)32-34(26,27)31-13-11(22)8(19)5(18)3-28-13/h1-2,5-6,8-13,18-22H,3-4H2,(H,24,25)(H,26,27)(H2,15,16,23)/t5-,6-,8+,9-,10-,11-,12-,13-/m1/s1 | | Definition date: | 2005-01-04 | | Last modified: | 2011-06-04 | | Identifier: | [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) |
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 | | SJ1 | | Name: | N-(ISOBUTOXYCARBONYL)-D-SERYL-N-((1S)-4-{[AMINO(IMINO)METHYL]AMINO}-1-FORMYLBUTYL)-L-ALANINAMIDE | | Formula: | C17 H32 N6 O6 | | SMILES: | O=C(NC(C(=O)NC(C=O)CCCNC(=[N@H])N)C)C(NC(=O)OCC(C)C)CO | | InChi: | InChI=1S/C17H32N6O6/c1-10(2)9-29-17(28)23-13(8-25)15(27)21-11(3)14(26)22-12(7-24)5-4-6-20-16(18)19/h7,10-13,25H,4-6,8-9H2,1-3H3,(H,21,27)(H,22,26)(H,23,28)(H4,18,19,20)/t11-,12-,13+/m0/s1 | | Definition date: | 2004-06-15 | | Last modified: | 2011-06-04 | | Identifier: | N-[(2-methylpropoxy)carbonyl]-D-seryl-N-[(1S)-4-carbamimidamido-1-formylbutyl]-L-alaninamide |
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 | | CXZ | | Name: | 4-chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol | | Formula: | C19 H20 Cl N3 O4 | | SMILES: | Clc1cc(c(O)cc1O)c4noc3c4cc(NCCN2CCOCC2)cc3 | | InChi: | InChI=1S/C19H20ClN3O4/c20-15-10-13(16(24)11-17(15)25)19-14-9-12(1-2-18(14)27-22-19)21-3-4-23-5-7-26-8-6-23/h1-2,9-11,21,24-25H,3-8H2 | | Definition date: | 2007-12-14 | | Last modified: | 2011-06-04 | | Identifier: | 4-chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol |
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 | | CY0 | | Name: | S-{3-[(4-ANILINOQUINAZOLIN-6-YL)AMINO]-3-OXOPROPYL}-L-CYSTEINE | | Formula: | C20 H21 N5 O3 S | | SMILES: | O=C(O)C(N)CSCCC(=O)Nc3cc1c(ncnc1Nc2ccccc2)cc3 | | InChi: | InChI=1S/C20H21N5O3S/c21-16(20(27)28)11-29-9-8-18(26)24-14-6-7-17-15(10-14)19(23-12-22-17)25-13-4-2-1-3-5-13/h1-7,10,12,16H,8-9,11,21H2,(H,24,26)(H,27,28)(H,22,23,25)/t16-/m0/s1 | | Definition date: | 2006-09-14 | | Last modified: | 2011-06-04 | | Identifier: | S-(3-oxo-3-{[4-(phenylamino)quinazolin-6-yl]amino}propyl)-L-cysteine |
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 | | CYE | | Name: | 45-(3-AMINOPROPYL)-5,11,22,28,34-PENTAMETHYL-3,9,15,20,26,32,38,43-OCTAOXO-2,5,8,14,19,22,25,28,31,34,37,42,45,48-TETRADECAAZA-11-AZONIAHEPTACYCLO[42.2.1.1~4,7~.1~10,13~.1~21,24~.1~27,30~.1~33,36~]DOPENTACONTA-1(46),4(52),6,10(51),12,21(50),23,27(49),29,33(48),35,44(47)-DODECAENE | | Formula: | C45 H55 N16 O8 | | SMILES: | O=C6Nc1cc(n(c1)C)C(=O)Nc2cc(n(c2)C)C(=O)NCCCC(=O)Nc3c[n+](c(c3)C(=O)Nc4cc(n(c4)C)C(=O)Nc5cc(n(c5)CCCN)C(=O)NCCCC(=O)Nc7nc6n(c7)C)C | | InChi: | InChI=1S/C45H54N16O8/c1-56-21-27-16-31(56)40(64)47-12-6-9-37(62)49-26-15-32(57(2)20-26)42(66)51-28-17-33(58(3)22-28)44(68)52-30-19-35(61(24-30)14-8-11-46)41(65)48-13-7-10-38(63)54-36-25-60(5)39(55-36)45(69)53-29-18-34(43(67)50-27)59(4)23-29/h15-25H,6-14,46H2,1-5H3,(H,47,64)(H,48,65)(H,49,62)(H,50,67)(H,51,66)(H,52,68)(H,53,69)(H,54,63)/p+1 | | Definition date: | 2003-06-23 | | Last modified: | 2011-06-04 | | Identifier: | (11S)-45-(3-aminopropyl)-5,11,22,28,34-pentamethyl-3,9,15,20,26,32,38,43-octaoxo-2,5,8,14,19,22,25,28,31,34,37,42,45,48-tetradecaaza-11-azoniaheptacyclo[42.2.1.1~4,7~.1~10,13~.1~21,24~.1~27,30~.1~33,36~]dopentaconta-1(46),4(52),6,10(51),12,21(50),23,27(49),29,33(48),35,44(47)-dodecaene |
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 | | CYF | | Name: | 5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-ACETYLAMINO]-2-(3,6-DIHYDROXY-9,9A-DIHYDRO-3H-XANTHEN-9-YL)-BENZOIC ACID | | Formula: | C25 H23 N3 O7 S | | SMILES: | O=C(N)C(N)CSCC(=O)Nc1ccc(c(C(=O)O)c1)C3c4c(Oc2c3ccc(O)c2)cc(O)cc4 | | InChi: | InChI=1S/C25H23N3O7S/c26-19(24(27)32)10-36-11-22(31)28-12-1-4-15(18(7-12)25(33)34)23-16-5-2-13(29)8-20(16)35-21-9-14(30)3-6-17(21)23/h1-9,19,23,29-30H,10-11,26H2,(H2,27,32)(H,28,31)(H,33,34)/t19-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 5-[({[(2R)-2,3-diamino-3-oxopropyl]sulfanyl}acetyl)amino]-2-(3,6-dihydroxy-9H-xanthen-9-yl)benzoic acid |
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 | | CYH | | Name: | CYCLOHEXANONE | | Formula: | C6 H10 O | | SMILES: | O=C1CCCCC1 | | InChi: | InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | cyclohexanone |
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 | | CYK | | Name: | N-hexanoyl-L-homocysteine | | Formula: | C10 H19 N O3 S | | SMILES: | O=C(O)C(NC(=O)CCCCC)CCS | | InChi: | InChI=1S/C10H19NO3S/c1-2-3-4-5-9(12)11-8(6-7-15)10(13)14/h8,15H,2-7H2,1H3,(H,11,12)(H,13,14)/t8-/m0/s1 | | Definition date: | 2008-06-18 | | Last modified: | 2011-06-04 | | Identifier: | N-hexanoyl-L-homocysteine |
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 | | CYY | | Name: | 2-DEOXYSTREPTAMINE | | Formula: | C6 H14 N2 O3 | | SMILES: | OC1C(N)CC(N)C(O)C1O | | InChi: | InChI=1S/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/t2-,3+,4+,5-,6- | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (1R,2r,3S,4R,6S)-4,6-diaminocyclohexane-1,2,3-triol |
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 | | SK1 | | Name: | N-(BENZYLSULFONYL)-D-SERYL-N-{4-[AMINO(IMINO)METHYL]BENZYL}-L-ALANINAMIDE | | Formula: | C21 H27 N5 O5 S | | SMILES: | O=S(=O)(NC(C(=O)NC(C(=O)NCc1ccc(C(=[N@H])N)cc1)C)CO)Cc2ccccc2 | | InChi: | InChI=1S/C21H27N5O5S/c1-14(20(28)24-11-15-7-9-17(10-8-15)19(22)23)25-21(29)18(12-27)26-32(30,31)13-16-5-3-2-4-6-16/h2-10,14,18,26-27H,11-13H2,1H3,(H3,22,23)(H,24,28)(H,25,29)/t14-,18+/m0/s1 | | Definition date: | 2004-06-15 | | Last modified: | 2011-06-04 | | Identifier: | N-(benzylsulfonyl)-D-seryl-N-(4-carbamimidoylbenzyl)-L-alaninamide |
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 | | SK2 | | Name: | (3R)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER | | Formula: | C19 H21 N3 O6 S | | SMILES: | O=S(=O)(O)Nc1ccc3c(c1)CN(C(=O)OCc2ccccc2)C(C(=O)NC)C3 | | InChi: | InChI=1S/C19H21N3O6S/c1-20-18(23)17-10-14-7-8-16(21-29(25,26)27)9-15(14)11-22(17)19(24)28-12-13-5-3-2-4-6-13/h2-9,17,21H,10-12H2,1H3,(H,20,23)(H,25,26,27)/t17-/m0/s1 | | Definition date: | 2005-12-05 | | Last modified: | 2011-06-04 | | Identifier: | [(3S)-2-[(benzyloxy)carbonyl]-3-(methylcarbamoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]sulfamic acid |
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 | | SK3 | | Name: | (1R,2R,3S,4S,5R)-5-(BENZYLAMINO)CYCLOPENTANE-1,2,3,4-TETROL | | Formula: | C12 H17 N O4 | | SMILES: | OC2C(NCc1ccccc1)C(O)C(O)C2O | | InChi: | InChI=1S/C12H17NO4/c14-9-8(10(15)12(17)11(9)16)13-6-7-4-2-1-3-5-7/h1-5,8-17H,6H2/t8-,9+,10-,11+,12- | | Definition date: | 2006-01-24 | | Last modified: | 2011-06-04 | | Identifier: | (1R,2R,3S,4S,5r)-5-(benzylamino)cyclopentane-1,2,3,4-tetrol |
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 | | SKF | | Name: | 1,2,3,4-TETRAHYDRO-ISOQUINOLINE-7-SULFONIC ACID AMIDE | | Formula: | C9 H12 N2 O2 S | | SMILES: | O=S(=O)(c1ccc2c(c1)CNCC2)N | | InChi: | InChI=1S/C9H12N2O2S/c10-14(12,13)9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2,(H2,10,12,13) | | Definition date: | 2001-01-08 | | Last modified: | 2011-06-04 | | Identifier: | 1,2,3,4-tetrahydroisoquinoline-7-sulfonamide |
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 | | SKY | | Name: | 1-beta-D-glucopyranosyl-4-naphthalen-2-yl-1H-1,2,3-triazole | | Formula: | C18 H19 N3 O5 | | SMILES: | n1nn(cc1c3cc2ccccc2cc3)C4OC(C(O)C(O)C4O)CO | | InChi: | InChI=1S/C18H19N3O5/c22-9-14-15(23)16(24)17(25)18(26-14)21-8-13(19-20-21)12-6-5-10-3-1-2-4-11(10)7-12/h1-8,14-18,22-25H,9H2/t14-,15-,16+,17-,18-/m1/s1 | | Definition date: | 2009-02-05 | | Last modified: | 2011-06-04 | | Identifier: | 1-beta-D-glucopyranosyl-4-naphthalen-2-yl-1H-1,2,3-triazole |
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 | | SL1 | | Name: | N-((1S)-4-{[AMINO(IMINO)METHYL]AMINO}-1-FORMYLBUTYL)-2-{(3R)-3-[(BENZYLSULFONYL)AMINO]-2-OXO-5-PHENYL-2,3-DIHYDRO-1H-1,4-BENZODIAZEPIN-1-YL}ACETAMIDE | | Formula: | C30 H33 N7 O5 S | | SMILES: | O=CC(NC(=O)CN1C(=O)C(N=C(c2ccccc12)c3ccccc3)NS(=O)(=O)Cc4ccccc4)CCCNC(=[N@H])N | | InChi: | InChI=1S/C30H33N7O5S/c31-30(32)33-17-9-14-23(19-38)34-26(39)18-37-25-16-8-7-15-24(25)27(22-12-5-2-6-13-22)35-28(29(37)40)36-43(41,42)20-21-10-3-1-4-11-21/h1-8,10-13,15-16,19,23,28,36H,9,14,17-18,20H2,(H,34,39)(H4,31,32,33)/t23-,28+/m0/s1 | | Definition date: | 2004-06-15 | | Last modified: | 2011-06-04 | | Identifier: | 2-{(3R)-3-[(benzylsulfonyl)amino]-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl}-N-[(1S)-4-carbamimidamido-1-formylbutyl]acetamide |
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 | | SL2 | | Name: | 3'-DEOXY-2'-O-(2,2,5,5-TETRAMETHYL-1-OXYL-PYRROLIN-3-YL) ADENOSINE 5'-DIPHOSPHATE | | Formula: | C19 H28 N6 O11 P2 | | SMILES: | O=P(O)(O)OP(=O)(O)OCC4OC(n2cnc1c(ncnc12)N)C(OC(=O)C3=CC(N(O)C3(C)C)(C)C)C4 | | InChi: | InChI=1S/C19H28N6O11P2/c1-18(2)6-11(19(3,4)25(18)27)17(26)35-12-5-10(7-33-38(31,32)36-37(28,29)30)34-16(12)24-9-23-13-14(20)21-8-22-15(13)24/h6,8-10,12,16,27H,5,7H2,1-4H3,(H,31,32)(H2,20,21,22)(H2,28,29,30)/t10-,12+,16+/m0/s1 | | Definition date: | 2003-04-23 | | Last modified: | 2011-06-04 | | Identifier: | 3'-deoxy-2'-O-[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)carbonyl]adenosine 5'-(trihydrogen diphosphate) |
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 | | SL3 | | Name: | 2'-DEOXY-3'-O-(2,2,5,5-TETRAMETHYL-1-OXYL-PYRROLIN-3-YL) ADENOSINE 5'-DIPHOSPHATE | | Formula: | C19 H28 N6 O11 P2 | | SMILES: | O=P(O)(O)OP(=O)(O)OCC4OC(n2cnc1c(ncnc12)N)CC4OC(=O)C3=CC(N(O)C3(C)C)(C)C | | InChi: | InChI=1S/C19H28N6O11P2/c1-18(2)6-10(19(3,4)25(18)27)17(26)35-11-5-13(24-9-23-14-15(20)21-8-22-16(14)24)34-12(11)7-33-38(31,32)36-37(28,29)30/h6,8-9,11-13,27H,5,7H2,1-4H3,(H,31,32)(H2,20,21,22)(H2,28,29,30)/t11-,12+,13+/m0/s1 | | Definition date: | 2003-04-23 | | Last modified: | 2011-06-04 | | Identifier: | 2'-deoxy-3'-O-[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)carbonyl]adenosine 5'-(trihydrogen diphosphate) |
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 | | SLD | | Name: | (3Z)-N-[(4E)-5-(4-{(5S)-5-[(acetylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl}-2-fluorophenyl)pent-4-en-1-yl]-3-(4-methyl-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)propanamide | | Formula: | C25 H28 F N5 O6 | | SMILES: | O=C(NCC3OC(=O)N(c2ccc(/C=C/CCCNC(=O)C/C=C1/C(=NC(=O)NC1=O)C)c(F)c2)C3)C | | InChi: | InChI=1S/C25H28FN5O6/c1-15-20(23(34)30-24(35)29-15)9-10-22(33)27-11-5-3-4-6-17-7-8-18(12-21(17)26)31-14-19(37-25(31)36)13-28-16(2)32/h4,6-9,12,19H,3,5,10-11,13-14H2,1-2H3,(H,27,33)(H,28,32)(H,30,34,35)/b6-4+,20-9-/t19-/m0/s1 | | Definition date: | 2008-07-16 | | Last modified: | 2011-06-04 | | Identifier: | (3Z)-N-[(4E)-5-(4-{(5S)-5-[(acetylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl}-2-fluorophenyl)pent-4-en-1-yl]-3-(4-methyl-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)propanamide |
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 | | SLF | | Name: | SULFATE-3-D-GALACTOSYL-BETA-1-1-N-STEAROYL-D-SPHINGOSINE | | Formula: | C42 H81 N O11 S | | SMILES: | O=S(=O)(O)OC1C(O)C(OC(OCC(NC(=O)CCCCCCCCCCCCCCCCC)C(O)/C=C/CCCCCCCCCCCCC)C1O)CO | | InChi: | InChI=1S/C42H81NO11S/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(46)43-35(36(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-52-42-40(48)41(54-55(49,50)51)39(47)37(33-44)53-42/h29,31,35-37,39-42,44-45,47-48H,3-28,30,32-34H2,1-2H3,(H,43,46)(H,49,50,51)/b31-29+/t35-,36+,37+,39-,40+,41-,42+/m0/s1 | | Definition date: | 2003-03-20 | | Last modified: | 2011-06-04 | | Identifier: | N-[(1S,2R,3E)-2-hydroxy-1-{[(3-O-sulfo-beta-D-galactopyranosyl)oxy]methyl}heptadec-3-en-1-yl]octadecanamide |
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 | | SLI | | Name: | 2-hydroxy-N-phenylbenzamide | | Formula: | C13 H11 N O2 | | SMILES: | Oc1ccccc1C(=O)Nc2ccccc2 | | InChi: | InChI=1S/C13H11NO2/c15-12-9-5-4-8-11(12)13(16)14-10-6-2-1-3-7-10/h1-9,15H,(H,14,16) | | Definition date: | 2010-02-15 | | Last modified: | 2011-06-04 | | Identifier: | 2-hydroxy-N-phenyl-benzamide |
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