 | | CVB | | Name: | 4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID | | Formula: | C9 H9 B O4 | | SMILES: | O=C(O)C=Cc1ccc(B(O)O)cc1 | | InChi: | InChI=1S/C9H9BO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6,13-14H,(H,11,12)/b6-3+ | | Definition date: | 2001-11-20 | | Last modified: | 2011-06-04 | | Identifier: | (2E)-3-[4-(dihydroxyboranyl)phenyl]prop-2-enoic acid |
|
 | | CX1 | | Name: | N-[(benzyloxy)carbonyl]-L-histidyl-N-methyl-L-phenylalanyl-L-tyrosine | | Formula: | C33 H35 N5 O7 | | SMILES: | O=C(O)C(NC(=O)C(N(C(=O)C(NC(=O)OCc1ccccc1)Cc2ncnc2)C)Cc3ccccc3)Cc4ccc(O)cc4 | | InChi: | InChI=1S/C33H35N5O7/c1-38(31(41)27(18-25-19-34-21-35-25)37-33(44)45-20-24-10-6-3-7-11-24)29(17-22-8-4-2-5-9-22)30(40)36-28(32(42)43)16-23-12-14-26(39)15-13-23/h2-15,19,21,27-29,39H,16-18,20H2,1H3,(H,34,35)(H,36,40)(H,37,44)(H,42,43)/t27-,28-,29-/m0/s1 | | Definition date: | 2008-02-07 | | Last modified: | 2011-06-04 | | Identifier: | N-[(benzyloxy)carbonyl]-L-histidyl-N-methyl-L-phenylalanyl-L-tyrosine |
|
 | | CX6 | | Name: | 2,3,6A,7,8,9-HEXAHYDRO-11H-[1,4]DIOXINO[2,3-G]PYRROLO[2,1-B][1,3]BENZOXAZIN-11-ONE | | Formula: | C13 H13 N O4 | | SMILES: | O=C1c3c(OC2N1CCC2)cc4OCCOc4c3 | | InChi: | InChI=1S/C13H13NO4/c15-13-8-6-10-11(17-5-4-16-10)7-9(8)18-12-2-1-3-14(12)13/h6-7,12H,1-5H2/t12-/m1/s1 | | Definition date: | 2005-08-18 | | Last modified: | 2011-06-04 | | Identifier: | (6aR)-2,3,6a,7,8,9-hexahydro-11H-[1,4]dioxino[2,3-g]pyrrolo[2,1-b][1,3]benzoxazin-11-one |
|
 | | CXA | | Name: | PHENYLALANINE-N-SULFONAMIDE | | Formula: | C9 H12 N2 O4 S | | SMILES: | O=S(=O)(NC(C(=O)O)Cc1ccccc1)N | | InChi: | InChI=1S/C9H12N2O4S/c10-16(14,15)11-8(9(12)13)6-7-4-2-1-3-5-7/h1-5,8,11H,6H2,(H,12,13)(H2,10,14,15)/t8-/m0/s1 | | Definition date: | 2002-07-30 | | Last modified: | 2011-06-04 | | Identifier: | N-sulfamoyl-L-phenylalanine |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 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) |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | D15 | | Name: | N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide | | Formula: | C24 H22 Cl N5 O2 | | SMILES: | Clc1cccc(c1)C(C(=O)Nc2cc3c(cc2)nnc3NC(=O)c4ccccc4)CCN | | InChi: | InChI=1S/C24H22ClN5O2/c25-17-8-4-7-16(13-17)19(11-12-26)24(32)27-18-9-10-21-20(14-18)22(30-29-21)28-23(31)15-5-2-1-3-6-15/h1-10,13-14,19H,11-12,26H2,(H,27,32)(H2,28,29,30,31)/t19-/m0/s1 | | Definition date: | 2008-06-30 | | Last modified: | 2011-06-04 | | Identifier: | N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide |
|
 | | D17 | | Name: | N-({3-[({4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl}amino)methyl]phenyl}carbonyl)-L-glutamic acid | | Formula: | C23 H21 N3 O6 S2 | | SMILES: | O=C1C(SC(=S)N1)=Cc3ccc(NCc2cc(C(=O)NC(C(=O)O)CCC(=O)O)ccc2)cc3 | | InChi: | InChI=1S/C23H21N3O6S2/c27-19(28)9-8-17(22(31)32)25-20(29)15-3-1-2-14(10-15)12-24-16-6-4-13(5-7-16)11-18-21(30)26-23(33)34-18/h1-7,10-11,17,24H,8-9,12H2,(H,25,29)(H,27,28)(H,31,32)(H,26,30,33)/b18-11-/t17-/m0/s1 | | Definition date: | 2009-05-28 | | Last modified: | 2011-06-04 | | Identifier: | N-({3-[({4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl}amino)methyl]phenyl}carbonyl)-L-glutamic acid |
|
 | | D1B | | Name: | 2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-2-THIENYL)-1H-BENZIMIDAZOLE-6- CARBOXIMIDAMIDE DIHYDROCHLORIDE | | Formula: | C19 H16 N6 S | | SMILES: | n2c1c(cc(C(=[N@H])N)cc1)nc2c3sc(cc3)c4ccc(C(=[N@H])N)cc4 | | InChi: | InChI=1S/C19H16N6S/c20-17(21)11-3-1-10(2-4-11)15-7-8-16(26-15)19-24-13-6-5-12(18(22)23)9-14(13)25-19/h1-9H,(H3,20,21)(H3,22,23)(H,24,25) | | Definition date: | 2004-05-19 | | Last modified: | 2011-06-04 | | Identifier: | 2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1H-benzimidazole-6-carboximidamide |
|
 | | D20 | | Name: | N~5~-{IMINO[(2-METHOXYETHYL)AMINO]METHYL}-L-ORNITHINE | | Formula: | C9 H20 N4 O3 | | SMILES: | O=C(O)C(N)CCCNC(=[N@H])NCCOC | | InChi: | InChI=1S/C9H20N4O3/c1-16-6-5-13-9(11)12-4-2-3-7(10)8(14)15/h7H,2-6,10H2,1H3,(H,14,15)(H3,11,12,13)/t7-/m0/s1 | | Definition date: | 2006-11-29 | | Last modified: | 2011-06-04 | | Identifier: | N~5~-[N-(2-methoxyethyl)carbamimidoyl]-L-ornithine |
|
 | | D24 | | Name: | 2,5-BIS-[4-[CYCLOPENTA-1,3-DIEN-5-YLAMINO-1-AMINOMETHYL]-PHEN-1-YL]FURAN | | Formula: | C28 H28 N4 O | | SMILES: | o1c(ccc1c2ccc(cc2)C(N)NC3C=CC=C3)c4ccc(cc4)C(N)NC5C=CC=C5 | | InChi: | InChI=1S/C28H28N4O/c29-27(31-23-5-1-2-6-23)21-13-9-19(10-14-21)25-17-18-26(33-25)20-11-15-22(16-12-20)28(30)32-24-7-3-4-8-24/h1-18,23-24,27-28,31-32H,29-30H2/t27-,28+ | | Definition date: | 2000-02-03 | | Last modified: | 2011-06-04 | | Identifier: | (R,S)-(furan-2,5-diyldibenzene-4,1-diyl)bis(N-cyclopenta-2,4-dien-1-ylmethanediamine) |
|
 | | D25 | | Name: | 3-phenyl-5-(1H-pyrazol-3-yl)isoxazole | | Formula: | C12 H9 N3 O | | SMILES: | n1oc(cc1c2ccccc2)c3nncc3 | | InChi: | InChI=1S/C12H9N3O/c1-2-4-9(5-3-1)11-8-12(16-15-11)10-6-7-13-14-10/h1-8H,(H,13,14) | | Definition date: | 2007-09-26 | | Last modified: | 2011-06-04 | | Identifier: | 3-phenyl-5-(1H-pyrazol-3-yl)isoxazole |
|
 | | D26 | | Name: | PHENYL-5-(1H-PYRAZOL-3-YL)-1,3-THIAZOLE | | Formula: | C12 H9 N3 S | | SMILES: | n1cc(sc1c2ccccc2)c3nncc3 | | InChi: | InChI=1S/C12H9N3S/c1-2-4-9(5-3-1)12-13-8-11(16-12)10-6-7-14-15-10/h1-8H,(H,14,15) | | Definition date: | 2007-09-27 | | Last modified: | 2011-06-04 | | Identifier: | 2-phenyl-5-(1H-pyrazol-3-yl)-1,3-thiazole |
|
 | | D2G | | Name: | N-METHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE | | Formula: | C11 H12 N2 O | | SMILES: | n2cccc(c1oc(cc1)CNC)c2 | | InChi: | InChI=1S/C11H12N2O/c1-12-8-10-4-5-11(14-10)9-3-2-6-13-7-9/h2-7,12H,8H2,1H3 | | Definition date: | 2005-12-15 | | Last modified: | 2011-06-04 | | Identifier: | N-methyl-1-(5-pyridin-3-ylfuran-2-yl)methanamine |
|
 | | D2M | | Name: | 4-(2,6-dimethoxyphenoxy)-2,6-dimethoxyphenol | | Formula: | C16 H18 O6 | | SMILES: | O(c1cc(OC)c(O)c(OC)c1)c2c(OC)cccc2OC | | InChi: | InChI=1S/C16H18O6/c1-18-11-6-5-7-12(19-2)16(11)22-10-8-13(20-3)15(17)14(9-10)21-4/h5-9,17H,1-4H3 | | Definition date: | 2009-01-19 | | Last modified: | 2011-06-04 | | Identifier: | 4-(2,6-dimethoxyphenoxy)-2,6-dimethoxyphenol |
|
 | | D2P | | Name: | (2S)-2,3-DICHLOROPROPAN-1-OL | | Formula: | C3 H6 Cl2 O | | SMILES: | ClCC(Cl)CO | | InChi: | InChI=1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2/t3-/m1/s1 | | Definition date: | 2004-12-09 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-2,3-dichloropropan-1-ol |
|
