 | | IPC | | Name: | 3-[ISOPROPYL(4-METHYLBENZOYL)AMINO]-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID | | Formula: | C22 H21 N O3 S | | SMILES: | O=C(O)c2sc(cc2N(C(=O)c1ccc(cc1)C)C(C)C)c3ccccc3 | | InChi: | InChI=1S/C22H21NO3S/c1-14(2)23(21(24)17-11-9-15(3)10-12-17)18-13-19(27-20(18)22(25)26)16-7-5-4-6-8-16/h4-14H,1-3H3,(H,25,26) | | Definition date: | 2005-03-02 | | Last modified: | 2011-06-04 | | Identifier: | 3-{(1-methylethyl)[(4-methylphenyl)carbonyl]amino}-5-phenylthiophene-2-carboxylic acid |
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 | | IPF | | Name: | N-ACETYLTRYPTOPHYL-N~1~-{3-[1-(N-ACETYLTRYPTOPHYLVALYL)PYRROLIDIN-2-YL]-1-BENZYL-2,3-DIHYDROXYPROPYL}VALINAMIDE | | Formula: | C50 H64 N8 O8 | | SMILES: | O=C(NC(C(=O)NC(C(=O)NC(Cc1ccccc1)C(O)C(O)C4N(C(=O)C(NC(=O)C(NC(=O)C)Cc3c2ccccc2nc3)C(C)C)CCC4)C(C)C)Cc6c5ccccc5nc6)C | | InChi: | InChI=1S/C50H64N8O8/c1-28(2)43(56-47(63)40(53-30(5)59)24-33-26-51-37-19-12-10-17-35(33)37)49(65)55-39(23-32-15-8-7-9-16-32)45(61)46(62)42-21-14-22-58(42)50(66)44(29(3)4)57-48(64)41(54-31(6)60)25-34-27-52-38-20-13-11-18-36(34)38/h7-13,15-20,26-29,39-46,51-52,61-62H,14,21-25H2,1-6H3,(H,53,59)(H,54,60)(H,55,65)(H,56,63)(H,57,64)/t39-,40-,41-,42-,43-,44-,45-,46-/m0/s1 | | Definition date: | 2005-06-27 | | Last modified: | 2011-06-04 | | Identifier: | N-acetyl-L-tryptophyl-N-{(1S,2S,3S)-3-[(2S)-1-(N-acetyl-L-tryptophyl-L-valyl)pyrrolidin-2-yl]-1-benzyl-2,3-dihydroxypropyl}-L-valinamide |
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 | | IPL | | Name: | INDOLE-3-PROPANOL PHOSPHATE | | Formula: | C11 H14 N O4 P | | SMILES: | O=P(O)(O)OCCCc2c1ccccc1nc2 | | InChi: | InChI=1S/C11H14NO4P/c13-17(14,15)16-7-3-4-9-8-12-11-6-2-1-5-10(9)11/h1-2,5-6,8,12H,3-4,7H2,(H2,13,14,15) | | Definition date: | 2000-06-30 | | Last modified: | 2011-06-04 | | Identifier: | 3-(1H-indol-3-yl)propyl dihydrogen phosphate |
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 | | IPM | | Name: | 3-ISOPROPYLMALIC ACID | | Formula: | C7 H12 O5 | | SMILES: | O=C(O)C(O)C(C(=O)O)C(C)C | | InChi: | InChI=1S/C7H12O5/c1-3(2)4(6(9)10)5(8)7(11)12/h3-5,8H,1-2H3,(H,9,10)(H,11,12)/t4-,5+/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (2R,3S)-2-hydroxy-3-(1-methylethyl)butanedioic acid |
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 | | IPO | | Name: | PARA-IODO-D-PHENYLALANINE HYDROXAMIC ACID | | Formula: | C9 H11 I N2 O2 | | SMILES: | Ic1ccc(cc1)CC(C(=O)NO)N | | InChi: | InChI=1S/C9H11IN2O2/c10-7-3-1-6(2-4-7)5-8(11)9(13)12-14/h1-4,8,14H,5,11H2,(H,12,13)/t8-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | N-hydroxy-4-iodo-D-phenylalaninamide |
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 | | IPU | | Name: | S-ISOPROPYL-ISOTHIOUREA | | Formula: | C4 H10 N2 S | | SMILES: | [N@H]=C(SC(C)C)N | | InChi: | InChI=1S/C4H10N2S/c1-3(2)7-4(5)6/h3H,1-2H3,(H3,5,6) | | Definition date: | 2000-02-02 | | Last modified: | 2011-06-04 | | Identifier: | 1-methylethyl imidothiocarbamate |
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 | | ISF | | Name: | P-(2'-IODO-5'-THENOYL)HYDROTROPIC ACID | | Formula: | C14 H11 I O3 S | | SMILES: | O=C(c1ccc(cc1)C(C(=O)O)C)c2sc(I)cc2 | | InChi: | InChI=1S/C14H11IO3S/c1-8(14(17)18)9-2-4-10(5-3-9)13(16)11-6-7-12(15)19-11/h2-8H,1H3,(H,17,18)/t8-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-2-{4-[(5-iodothiophen-2-yl)carbonyl]phenyl}propanoic acid |
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 | | ISO | | Name: | PARA-ISOPROPYLANILINE | | Formula: | C9 H13 N | | SMILES: | Nc1ccc(cc1)C(C)C | | InChi: | InChI=1S/C9H13N/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,10H2,1-2H3 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 4-(propan-2-yl)aniline |
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 | | ISP | | Name: | PHOSPHORYLISOPROPANE | | Formula: | C3 H9 O4 P | | SMILES: | O=P(O)(O)OC(C)C | | InChi: | InChI=1S/C3H9O4P/c1-3(2)7-8(4,5)6/h3H,1-2H3,(H2,4,5,6) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 1-methylethyl dihydrogen phosphate |
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 | | L9X | | Name: | L-gamma-glutamyl-S-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-L-cysteinylglycine | | Formula: | C16 H24 N4 O8 S | | SMILES: | CCN1C(=O)C[CH](SC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O)C1=O | | InChi: | InChI=1S/C16H24N4O8S/c1-2-20-12(22)5-10(15(20)26)29-7-9(14(25)18-6-13(23)24)19-11(21)4-3-8(17)16(27)28/h8-10H,2-7,17H2,1H3,(H,18,25)(H,19,21)(H,23,24)(H,27,28)/t8-,9-,10+/m0/s1 | | Definition date: | 2010-01-18 | | Last modified: | 2011-06-04 | | Identifier: | 2-azanyl-5-[[(2R)-1-(carboxymethylamino)-3-[(3R)-1-ethyl-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid |
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 | | 3A1 | | Name: | N~2~-{(2S)-3-[(R)-hydroxy{(1R)-2-phenyl-1-[(phenylacetyl)amino]ethyl}phosphoryl]-2-methylpropanoyl}-L-lysyl-D-serine | | Formula: | C29 H41 N4 O8 P | | SMILES: | O=C(O)C(NC(=O)C(NC(=O)C(C)CP(=O)(O)C(NC(=O)Cc1ccccc1)Cc2ccccc2)CCCCN)CO | | InChi: | InChI=1S/C29H41N4O8P/c1-20(27(36)31-23(14-8-9-15-30)28(37)32-24(18-34)29(38)39)19-42(40,41)26(17-22-12-6-3-7-13-22)33-25(35)16-21-10-4-2-5-11-21/h2-7,10-13,20,23-24,26,34H,8-9,14-19,30H2,1H3,(H,31,36)(H,32,37)(H,33,35)(H,38,39)(H,40,41)/t20-,23+,24-,26-/m1/s1 | | Definition date: | 2010-02-05 | | Last modified: | 2011-06-04 | | Identifier: | N~2~-{(2S)-3-[(R)-hydroxy{(1R)-2-phenyl-1-[(phenylacetyl)amino]ethyl}phosphoryl]-2-methylpropanoyl}-L-lysyl-D-serine |
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 | | 3A2 | | Name: | 1-{3-[(R)-{(1R)-1-[(glycyl-L-prolyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]propanoyl}-L-prolyl-D-norleucine | | Formula: | C29 H44 N5 O8 P | | SMILES: | O=C(NC(Cc1ccccc1)P(=O)(O)CCC(=O)N2C(C(=O)NC(C(=O)O)CCCC)CCC2)C3N(C(=O)CN)CCC3 | | InChi: | InChI=1S/C29H44N5O8P/c1-2-3-11-21(29(39)40)31-27(37)22-12-7-15-33(22)25(35)14-17-43(41,42)24(18-20-9-5-4-6-10-20)32-28(38)23-13-8-16-34(23)26(36)19-30/h4-6,9-10,21-24H,2-3,7-8,11-19,30H2,1H3,(H,31,37)(H,32,38)(H,39,40)(H,41,42)/t21-,22+,23+,24-/m1/s1 | | Definition date: | 2010-02-05 | | Last modified: | 2011-06-04 | | Identifier: | 1-{3-[(R)-{(1R)-1-[(glycyl-L-prolyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]propanoyl}-L-prolyl-D-norleucine |
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 | | 3AH | | Name: | [HISTIDIN-1-YL-4H-[1,2,4]TRIAZOL-5-YL]-AMINE | | Formula: | C8 H11 N7 O2 | | SMILES: | O=C(O)C(N)Cc2ncn(c1nc(nn1)N)c2 | | InChi: | InChI=1S/C8H11N7O2/c9-5(6(16)17)1-4-2-15(3-11-4)8-12-7(10)13-14-8/h2-3,5H,1,9H2,(H,16,17)(H3,10,12,13,14)/t5-/m0/s1 | | Definition date: | 1999-12-01 | | Last modified: | 2011-06-04 | | Identifier: | 1-(3-amino-1H-1,2,4-triazol-5-yl)-L-histidine |
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 | | 3B3 | | Name: | (2S)-1-AMINO-3-[(5-NITROQUINOLIN-8-YL)AMINO]PROPAN-2-OL | | Formula: | C12 H14 N4 O3 | | SMILES: | [O-][N+](=O)c1ccc(NCC(O)CN)c2ncccc12 | | InChi: | InChI=1S/C12H14N4O3/c13-6-8(17)7-15-10-3-4-11(16(18)19)9-2-1-5-14-12(9)10/h1-5,8,15,17H,6-7,13H2/t8-/m0/s1 | | Definition date: | 2006-03-09 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-1-amino-3-[(5-nitroquinolin-8-yl)amino]propan-2-ol |
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 | | 3B6 | | Name: | (2S)-N-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide | | Formula: | C18 H14 I N3 O3 | | SMILES: | N#Cc1ccc(cc1I)NC(=O)C(O)(COc2ccc(C#N)cc2)C | | InChi: | InChI=1S/C18H14IN3O3/c1-18(24,11-25-15-6-2-12(9-20)3-7-15)17(23)22-14-5-4-13(10-21)16(19)8-14/h2-8,24H,11H2,1H3,(H,22,23)/t18-/m0/s1 | | Definition date: | 2007-11-28 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-N-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide |
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 | | 3BP | | Name: | 2-(3-BIPHENYL-4-YL-2-ETHANESULFONYLAMINO-PROPIONYLAMINO)-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIMIDOYL-BENZYLAMIDE) | | Formula: | C30 H36 N6 O5 S | | SMILES: | O=S(=O)(NC(C(=O)NC(C(=O)NCc1ccc(cc1)C(=[N@H])N)CCC(=O)N)Cc3ccc(c2ccccc2)cc3)CC | | InChi: | InChI=1S/C30H36N6O5S/c1-2-42(40,41)36-26(18-20-8-12-23(13-9-20)22-6-4-3-5-7-22)30(39)35-25(16-17-27(31)37)29(38)34-19-21-10-14-24(15-11-21)28(32)33/h3-15,25-26,36H,2,16-19H2,1H3,(H2,31,37)(H3,32,33)(H,34,38)(H,35,39)/t25-,26+/m0/s1 | | Definition date: | 2004-11-29 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-2-({(2R)-3-biphenyl-4-yl-2-[(ethylsulfonyl)amino]propanoyl}amino)-N~1~-(4-carbamimidoylbenzyl)pentanediamide (non-preferred name) |
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 | | 3BR | | Name: | 1-BROMOPROPANE | | Formula: | C3 H7 Br | | SMILES: | BrCCC | | InChi: | InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3 | | Definition date: | 2004-11-01 | | Last modified: | 2011-06-04 | | Identifier: | 1-bromopropane |
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 | | 3CL | | Name: | 3-CHLOROPROPANOL | | Formula: | C3 H7 Cl O | | SMILES: | ClCCCO | | InChi: | InChI=1S/C3H7ClO/c4-2-1-3-5/h5H,1-3H2 | | Definition date: | 2004-11-03 | | Last modified: | 2011-06-04 | | Identifier: | 3-chloropropan-1-ol |
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 | | 3CN | | Name: | 3-AMINOPROPANE | | Formula: | C3 H9 N | | SMILES: | NCCC | | InChi: | InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3 | | Definition date: | 1999-11-01 | | Last modified: | 2011-06-04 | | Identifier: | propan-1-amine |
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 | | 3CP | | Name: | 3-CARBOXYPROPYL-COENZYME A | | Formula: | C25 H42 N7 O18 P3 S | | SMILES: | O=C(O)CCCSCCNC(=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/C25H42N7O18P3S/c1-25(2,20(37)23(38)28-6-5-15(33)27-7-9-54-8-3-4-16(34)35)11-47-53(44,45)50-52(42,43)46-10-14-19(49-51(39,40)41)18(36)24(48-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,36-37H,3-11H2,1-2H3,(H,27,33)(H,28,38)(H,34,35)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t14-,18-,19-,20+,24-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (3S,5R,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-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide (non-preferred name) |
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 | | 3CS | | Name: | 3-[3-(3,3-DIMETHYLBUTANOYL)-1-(4-IODOBENZYL)-5-(QUINOLIN-2-YLMETHOXY)-1H-INDOL-2-YL]-2,2-DIMETHYLPROPANOIC ACID | | Formula: | C36 H37 I N2 O4 | | SMILES: | O=C(O)C(C)(C)Cc4c(c3cc(OCc1nc2c(cc1)cccc2)ccc3n4Cc5ccc(I)cc5)C(=O)CC(C)(C)C | | InChi: | InChI=1S/C36H37IN2O4/c1-35(2,3)20-32(40)33-28-18-27(43-22-26-15-12-24-8-6-7-9-29(24)38-26)16-17-30(28)39(21-23-10-13-25(37)14-11-23)31(33)19-36(4,5)34(41)42/h6-18H,19-22H2,1-5H3,(H,41,42) | | Definition date: | 2007-06-15 | | Last modified: | 2011-06-04 | | Identifier: | 3-[3-(3,3-dimethylbutanoyl)-1-(4-iodobenzyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoic acid |
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 | | 3CX | | Name: | (2S)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid | | Formula: | C9 H19 N O4 S | | SMILES: | O=S(=O)(O)CC(O)CNC1CCCCC1 | | InChi: | InChI=1S/C9H19NO4S/c11-9(7-15(12,13)14)6-10-8-4-2-1-3-5-8/h8-11H,1-7H2,(H,12,13,14)/t9-/m0/s1 | | Definition date: | 2010-09-22 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid |
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 | | 3DP | | Name: | 3-(N,N-DIMETHYLOCTYLAMMONIO)PROPANESULFONATE | | Formula: | C13 H29 N O3 S | | SMILES: | [O-]S(=O)(=O)CCC[N+](C)(CCCCCCCC)C | | InChi: | InChI=1S/C13H29NO3S/c1-4-5-6-7-8-9-11-14(2,3)12-10-13-18(15,16)17/h4-13H2,1-3H3 | | Definition date: | 2006-01-12 | | Last modified: | 2011-06-04 | | Identifier: | 3-[dimethyl(octyl)ammonio]propane-1-sulfonate |
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 | | 3ET | | Name: | O-[(2R)-2-amino-3-(D-seryloxy)propanoyl]-N-[(2,3-dihydroxyphenyl)carbonyl]-L-serine | | Formula: | C16 H21 N3 O10 | | SMILES: | O=C(OCC(N)C(=O)OCC(C(=O)O)NC(=O)c1cccc(O)c1O)C(N)CO | | InChi: | InChI=1S/C16H21N3O10/c17-8(4-20)15(26)28-5-9(18)16(27)29-6-10(14(24)25)19-13(23)7-2-1-3-11(21)12(7)22/h1-3,8-10,20-22H,4-6,17-18H2,(H,19,23)(H,24,25)/t8-,9-,10+/m1/s1 | | Definition date: | 2009-06-26 | | Last modified: | 2011-06-04 | | Identifier: | O-[(2R)-2-amino-3-(D-seryloxy)propanoyl]-N-[(2,3-dihydroxyphenyl)carbonyl]-L-serine |
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 | | LGG | | Name: | N-ACETYL-L-ALPHA-GLUTAMYL-L-PHENYLALANYL-L-GLUTAMINYL-N-[(1S)-4-AMINO-1-(2-CARBOXYETHYL)-4-OXOBUTYL]-L-LEUCINAMIDE | | Formula: | C34 H51 N7 O11 | | SMILES: | O=C(N)CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CCC(=O)O)Cc1ccccc1)CCC(=O)N)CC(C)C)CCC(=O)O | | InChi: | InChI=1S/C34H51N7O11/c1-19(2)17-25(33(51)38-22(9-13-27(35)43)10-15-29(45)46)40-32(50)24(11-14-28(36)44)39-34(52)26(18-21-7-5-4-6-8-21)41-31(49)23(37-20(3)42)12-16-30(47)48/h4-8,19,22-26H,9-18H2,1-3H3,(H2,35,43)(H2,36,44)(H,37,42)(H,38,51)(H,39,52)(H,40,50)(H,41,49)(H,45,46)(H,47,48)/t22-,23-,24-,25-,26-/m0/s1 | | Definition date: | 2006-10-13 | | Last modified: | 2011-06-04 | | Identifier: | N-acetyl-L-alpha-glutamyl-L-phenylalanyl-L-glutaminyl-N-[(1S)-4-amino-1-(2-carboxyethyl)-4-oxobutyl]-L-leucinamide |
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