 | | CX4 | | Name: | 7-chloro-N-(cyclopropylmethyl)quinazolin-4-amine | | Formula: | C12 H12 Cl N3 | | SMILES: | Clc3ccc1c(ncnc1NCC2CC2)c3 | | InChi: | InChI=1S/C12H12ClN3/c13-9-3-4-10-11(5-9)15-7-16-12(10)14-6-8-1-2-8/h3-5,7-8H,1-2,6H2,(H,14,15,16) | | Definition date: | 2009-06-02 | | Last modified: | 2011-06-04 | | Identifier: | 7-chloro-N-(cyclopropylmethyl)quinazolin-4-amine |
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 | | 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 |
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 | | 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 |
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 | | CXB | | Name: | [(2-AMINO-ALPHA-METHOXYIMINO-4-THIAZOLYLACETYL)AMINO]METHYLBORONIC ACID | | Formula: | C7 H11 B N4 O4 S | | SMILES: | O=C(C(=NOC)/c1nc(sc1)N)NCB(O)O | | InChi: | InChI=1S/C7H11BN4O4S/c1-16-12-5(4-2-17-7(9)11-4)6(13)10-3-8(14)15/h2,14-15H,3H2,1H3,(H2,9,11)(H,10,13)/b12-5- | | Definition date: | 2003-02-24 | | Last modified: | 2011-06-04 | | Identifier: | ({[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}methyl)boronic acid |
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 | | CXE | | Name: | PENTAETHYLENE GLYCOL MONODECYL ETHER | | Formula: | C20 H42 O6 | | SMILES: | O(CCO)CCOCCOCCOCCOCCCCCCCCCC | | InChi: | InChI=1S/C20H42O6/c1-2-3-4-5-6-7-8-9-11-22-13-15-24-17-19-26-20-18-25-16-14-23-12-10-21/h21H,2-20H2,1H3 | | Definition date: | 2003-05-02 | | Last modified: | 2011-06-04 | | Identifier: | 3,6,9,12,15-pentaoxapentacosan-1-ol |
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 | | 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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 | | 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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 | | CXS | | Name: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID | | Formula: | C9 H19 N O3 S | | SMILES: | O=S(=O)(O)CCCNC1CCCCC1 | | InChi: | InChI=1S/C9H19NO3S/c11-14(12,13)8-4-7-10-9-5-2-1-3-6-9/h9-10H,1-8H2,(H,11,12,13) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 3-(cyclohexylamino)propane-1-sulfonic acid |
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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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 | | 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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 | | CY7 | | Name: | S-{(1S)-3-{[(4Z)-4-{[3-CHLORO-4-(PYRIDIN-2-YLMETHOXY)PHENYL]IMINO}-3-CYANO-7-ETHOXY-1,4-DIHYDROQUINOLIN-6-YL]AMINO}-1-[(DIMETHYLAMINO)METHYL]-3-OXOPROPYL}-L-CYSTEINE | | Formula: | C33 H36 Cl N7 O5 S | | SMILES: | O=C(O)C(N)CSC(CN(C)C)CC(=O)Nc4c(OCC)cc3c(/C(=N/c2ccc(OCc1ncccc1)c(Cl)c2)C(C#N)=CN3)c4 | | InChi: | InChI=1S/C33H36ClN7O5S/c1-4-45-30-14-27-24(13-28(30)40-31(42)12-23(17-41(2)3)47-19-26(36)33(43)44)32(20(15-35)16-38-27)39-21-8-9-29(25(34)11-21)46-18-22-7-5-6-10-37-22/h5-11,13-14,16,23,26H,4,12,17-19,36H2,1-3H3,(H,38,39)(H,40,42)(H,43,44)/t23-,26-/m0/s1 | | Definition date: | 2007-07-02 | | Last modified: | 2011-06-04 | | Identifier: | S-{(1S)-3-{[(4Z)-4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]imino}-3-cyano-7-ethoxy-1,4-dihydroquinolin-6-yl]amino}-1-[(dimethylamino)methyl]-3-oxopropyl}-L-cysteine |
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 | | CYB | | Name: | PHYCOUROBILIN | | Formula: | C32 H40 N4 O6 | | SMILES: | CCC1=CC(=O)N[CH]1Cc2[nH]c(C=C3N=C(C[CH]4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C | | InChi: | InChI=1S/C32H40N4O6/c1-6-19-12-29(37)35-26(19)14-24-18(5)22(9-11-31(40)41)28(34-24)15-27-21(8-10-30(38)39)17(4)23(33-27)13-25-16(3)20(7-2)32(42)36-25/h12,15,25-26,34H,6-11,13-14H2,1-5H3,(H,35,37)(H,36,42)(H,38,39)(H,40,41)/b27-15-/t25-,26-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 3-(2-[(Z)-(3-(2-carboxyethyl)-5-{[(2S)-4-ethyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-2H-pyrrol-2-ylidene)methyl]-5-{[(2S)-3-ethyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid |
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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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 | | 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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 | | CYI | | Name: | CYCLOHEXYL ISOCYANIDE | | Formula: | C7 H11 N | | SMILES: | isocyanocyclohexane | | InChi: | InChI=1S/C7H11N/c1-8-7-5-3-2-4-6-7/h7H,2-6H2 | | Definition date: | 2005-07-15 | | Last modified: | 2011-06-04 | | Identifier: | cyclohexyl isocyanide |
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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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 | | CYU | | Name: | CALYCULIN A | | Formula: | C50 H81 N4 O15 P | | SMILES: | N#CC=C(/C=C/C=C(/C(=C/C(C)C(O)C(C)C(O)CC(OC)C3OC1(OC(C(C(O)C1)C)CC=Cc2nc(oc2)C(C)CCNC(=O)C(O)C(O)C(N(C)C)COC)C(C3OP(=O)(O)O)(C)C)C)C)C | | InChi: | InChI=1S/C50H81N4O15P/c1-29(20-22-51)16-14-17-30(2)32(4)24-33(5)42(57)35(7)38(55)25-41(65-13)45-46(69-70(61,62)63)49(8,9)50(68-45)26-39(56)34(6)40(67-50)19-15-18-36-27-66-48(53-36)31(3)21-23-52-47(60)44(59)43(58)37(28-64-12)54(10)11/h14-18,20,24,27,31,33-35,37-46,55-59H,19,21,23,25-26,28H2,1-13H3,(H,52,60)(H2,61,62,63)/b16-14+,18-15+,29-20-,30-17+,32-24+/t31-,33+,34-,35-,37?,38-,39+,40-,41-,42+,43?,44?,45+,46-,50+/m0/s1 | | Definition date: | 2002-01-16 | | Last modified: | 2011-06-04 | | Identifier: | (2R,3R,5R,7S,8S,9R)-2-[(1S,3S,4S,5R,6R,7E,9E,11E,13Z)-14-cyano-3,5-dihydroxy-1-methoxy-4,6,8,9,13-pentamethyltetradeca-7,9,11,13-tetraen-1-yl]-7-[(2E)-3-{2-[(1S)-3-{[4-(dimethylamino)-2,3-dihydroxy-5-methoxypentanoyl]amino}-1-methylpropyl]-1,3-oxazol-4-yl}prop-2-en-1-yl]-9-hydroxy-4,4,8-trimethyl-1,6-dioxaspiro[4.5]dec-3-yl dihydrogen phosphate (non-preferred name) |
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 | | CYV | | Name: | ETHYL (4R)-4-{[(2R,5S)-5-{[N-(TERT-BUTOXYCARBONYL)-L-SERYL]AMINO}-6-METHYL-2-(3-METHYLBUT-2-EN-1-YL)-4-OXOHEPTANOYL]AMINO}-5-[(3R)-2-OXOPYRROLIDIN-3-YL]PENTANOATE | | Formula: | C32 H54 N4 O9 | | SMILES: | O=C(OC(C)(C)C)NC(C(=O)NC(C(=O)CC(C(=O)NC(CC1C(=O)NCC1)CCC(=O)OCC)CC=C(/C)C)C(C)C)CO | | InChi: | InChI=1S/C32H54N4O9/c1-9-44-26(39)13-12-23(16-22-14-15-33-28(22)40)34-29(41)21(11-10-19(2)3)17-25(38)27(20(4)5)36-30(42)24(18-37)35-31(43)45-32(6,7)8/h10,20-24,27,37H,9,11-18H2,1-8H3,(H,33,40)(H,34,41)(H,35,43)(H,36,42)/t21-,22-,23-,24+,27+/m1/s1 | | Definition date: | 2007-07-18 | | Last modified: | 2011-06-04 | | Identifier: | ethyl (4R)-4-{[(2R,5S)-5-{[N-(tert-butoxycarbonyl)-L-seryl]amino}-6-methyl-2-(3-methylbut-2-en-1-yl)-4-oxoheptanoyl]amino}-5-[(3R)-2-oxopyrrolidin-3-yl]pentanoate |
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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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 | | XX3 | | Name: | (1S)-1-HYDROPEROXY-1-HYDROXY-2-KETO-5-NITROCYCLOHEXA-3,5-DIENE | | Formula: | C6 H5 N O6 | | SMILES: | O=[N+]([O-])C1=CC(OO)(O)C(=O)C=C1 | | InChi: | InChI=1S/C6H5NO6/c8-5-2-1-4(7(10)11)3-6(5,9)13-12/h1-3,9,12H/t6-/m0/s1 | | Definition date: | 2006-10-05 | | Last modified: | 2011-06-04 | | Identifier: | (6S)-6-hydroperoxy-6-hydroxy-4-nitrocyclohexa-2,4-dien-1-one |
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 | | CZ3 | | Name: | 1,1'-{hexa-2,4-diyne-1,6-diylbis[oxy{(2S,3R)-2-[(N-methyl-L-alanyl)amino]-1-oxobutane-3,1-diyl}(2S)pyrrolidine-1,2-diylmethanediyl]}bis[5-(phenylsulfanyl)-1H-tetrazole] | | Formula: | C46 H60 N14 O6 S2 | | SMILES: | O=C(N3C(Cn2nnnc2Sc1ccccc1)CCC3)C(NC(=O)C(NC)C)C(OCC#CC#CCOC(C)C(NC(=O)C(NC)C)C(=O)N4CCCC4Cn6nnnc6Sc5ccccc5)C | | InChi: | InChI=1S/C46H60N14O6S2/c1-31(47-5)41(61)49-39(43(63)57-25-17-19-35(57)29-59-45(51-53-55-59)67-37-21-11-9-12-22-37)33(3)65-27-15-7-8-16-28-66-34(4)40(50-42(62)32(2)48-6)44(64)58-26-18-20-36(58)30-60-46(52-54-56-60)68-38-23-13-10-14-24-38/h9-14,21-24,31-36,39-40,47-48H,17-20,25-30H2,1-6H3,(H,49,61)(H,50,62)/t31-,32-,33+,34+,35-,36-,39-,40-/m0/s1 | | Definition date: | 2009-03-04 | | Last modified: | 2011-06-04 | | Identifier: | 1,1'-{hexa-2,4-diyne-1,6-diylbis[oxy{(2S,3R)-2-[(N-methyl-L-alanyl)amino]-1-oxobutane-3,1-diyl}(2S)pyrrolidine-1,2-diylmethanediyl]}bis[5-(phenylsulfanyl)-1H-tetrazole] |
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 | | XX4 | | Name: | 3-(2-AMINO-6-BENZOYLQUINAZOLIN-3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE | | Formula: | C25 H30 N4 O2 | | SMILES: | O=C(c2ccc1N=C(N(Cc1c2)CCC(=O)N(C)C3CCCCC3)N)c4ccccc4 | | InChi: | InChI=1S/C25H30N4O2/c1-28(21-10-6-3-7-11-21)23(30)14-15-29-17-20-16-19(12-13-22(20)27-25(29)26)24(31)18-8-4-2-5-9-18/h2,4-5,8-9,12-13,16,21H,3,6-7,10-11,14-15,17H2,1H3,(H2,26,27) | | Definition date: | 2007-05-31 | | Last modified: | 2011-06-04 | | Identifier: | 3-[2-amino-6-(phenylcarbonyl)quinazolin-3(4H)-yl]-N-cyclohexyl-N-methylpropanamide |
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 | | XX7 | | Name: | 2-{[(2S)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-1,3-DIOL | | Formula: | C20 H23 N O4 | | SMILES: | OCC(NCC(O)COc2cc3c(c1c2cccc1)cccc3)CO | | InChi: | InChI=1S/C20H23NO4/c22-11-15(12-23)21-10-16(24)13-25-20-9-14-5-1-2-6-17(14)18-7-3-4-8-19(18)20/h1-9,15-16,21-24H,10-13H2/t16-/m0/s1 | | Definition date: | 2007-06-22 | | Last modified: | 2011-06-04 | | Identifier: | 2-{[(2S)-2-hydroxy-3-(phenanthren-9-yloxy)propyl]amino}propane-1,3-diol |
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 | | CZA | | Name: | (6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-CD]INDOL-11-ONE | | Formula: | C20 H20 N2 O3 | | SMILES: | O=C4C(C(=O)C)=C(O)N5C(C3Cc2c1c(cnc1ccc2)C3C45)(C)C | | InChi: | InChI=1S/C20H20N2O3/c1-9(23)14-18(24)17-16-11-8-21-13-6-4-5-10(15(11)13)7-12(16)20(2,3)22(17)19(14)25/h4-6,8,12,16-17,21,25H,7H2,1-3H3/t12-,16+,17+/m1/s1 | | Definition date: | 2006-12-20 | | Last modified: | 2011-06-04 | | Identifier: | (6aR,11aS,11bR)-10-acetyl-9-hydroxy-7,7-dimethyl-2,6,6a,7,11a,11b-hexahydro-11H-pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indol-11-one |
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