| LEE | Name: | L-gamma-glutamyl-S-hexyl-L-cysteinylglycine | Formula: | C16 H29 N3 O6 S | SMILES: | O=C(NC(C(=O)NCC(=O)O)CSCCCCCC)CCC(C(=O)O)N | InChi: | InChI=1S/C16H29N3O6S/c1-2-3-4-5-8-26-10-12(15(23)18-9-14(21)22)19-13(20)7-6-11(17)16(24)25/h11-12H,2-10,17H2,1H3,(H,18,23)(H,19,20)(H,21,22)(H,24,25)/t11-,12-/m0/s1 | Definition date: | 2009-02-05 | Last modified: | 2011-07-13 | Identifier: | L-gamma-glutamyl-S-hexyl-L-cysteinylglycine |
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| 0FG | Name: | D-leucyl-N-(4-fluorobenzyl)-L-phenylalaninamide | Formula: | C22 H28 F N3 O2 | SMILES: | Fc1ccc(cc1)CNC(=O)C(NC(=O)C(N)CC(C)C)Cc2ccccc2 | InChi: | InChI=1S/C22H28FN3O2/c1-15(2)12-19(24)21(27)26-20(13-16-6-4-3-5-7-16)22(28)25-14-17-8-10-18(23)11-9-17/h3-11,15,19-20H,12-14,24H2,1-2H3,(H,25,28)(H,26,27)/t19-,20+/m1/s1 | Definition date: | 2008-09-14 | Last modified: | 2011-07-13 | Identifier: | D-leucyl-N-(4-fluorobenzyl)-L-phenylalaninamide |
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| 0GQ | Name: | 4-amino-N-{(1R,8R,9R,13R)-16-(4-amino-2-methylpyrimidin-5-yl)-1-benzyl-8-(cyclohexylmethyl)-9-hydroxy-13-[(1S)-1-methylpropyl]-2,6,11,14-tetraoxo-3,7,12,15-tetraazahexadec-1-yl}piperidine-1-carboxamide | Formula: | C41 H64 N10 O6 | SMILES: | O=C(NC(C(=O)NCCC(=O)NC(CC1CCCCC1)C(O)CC(=O)NC(C(=O)NCc2cnc(nc2N)C)C(C)CC)Cc3ccccc3)N4CCC(N)CC4 | InChi: | InChI=1S/C41H64N10O6/c1-4-26(2)37(40(56)46-25-30-24-45-27(3)47-38(30)43)50-36(54)23-34(52)32(21-28-11-7-5-8-12-28)48-35(53)15-18-44-39(55)33(22-29-13-9-6-10-14-29)49-41(57)51-19-16-31(42)17-20-51/h6,9-10,13-14,24,26,28,31-34,37,52H,4-5,7-8,11-12,15-23,25,42H2,1-3H3,(H,44,55)(H,46,56)(H,48,53)(H,49,57)(H,50,54)(H2,43,45,47)/t26-,32-,33-,34-,37-/m0/s1 | Definition date: | 2009-03-09 | Last modified: | 2011-07-13 | Identifier: | 4-amino-N-[(4S,8S,9S,16S)-1-(4-amino-2-methylpyrimidin-5-yl)-4-[(2S)-butan-2-yl]-9-(cyclohexylmethyl)-8-hydroxy-3,6,11,15-tetraoxo-17-phenyl-2,5,10,14-tetraazaheptadecan-16-yl]piperidine-1-carboxamide (non-preferred name) |
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| 0GR | Name: | N-(furan-2-ylcarbonyl)-L-leucyl-L-tryptophan | Formula: | C22 H25 N3 O5 | SMILES: | O=C(NC(C(=O)NC(C(=O)O)Cc2c1ccccc1nc2)CC(C)C)c3occc3 | InChi: | InChI=1S/C22H25N3O5/c1-13(2)10-17(24-21(27)19-8-5-9-30-19)20(26)25-18(22(28)29)11-14-12-23-16-7-4-3-6-15(14)16/h3-9,12-13,17-18,23H,10-11H2,1-2H3,(H,24,27)(H,25,26)(H,28,29)/t17-,18-/m0/s1 | Definition date: | 2008-09-14 | Last modified: | 2011-07-13 | Identifier: | N-(furan-2-ylcarbonyl)-L-leucyl-L-tryptophan |
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| 0HH | Name: | L-gamma-glutamyl-S-nonyl-L-cysteinylglycine | Formula: | C19 H35 N3 O6 S | SMILES: | O=C(NC(C(=O)NCC(=O)O)CSCCCCCCCCC)CCC(C(=O)O)N | InChi: | InChI=1S/C19H35N3O6S/c1-2-3-4-5-6-7-8-11-29-13-15(18(26)21-12-17(24)25)22-16(23)10-9-14(20)19(27)28/h14-15H,2-13,20H2,1H3,(H,21,26)(H,22,23)(H,24,25)(H,27,28)/t14-,15-/m0/s1 | Definition date: | 2009-02-04 | Last modified: | 2011-07-13 | Identifier: | L-gamma-glutamyl-S-nonyl-L-cysteinylglycine |
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| 0HT | Name: | methyl N-[(2S,3S)-3-amino-2-hydroxy-5-methylhexyl]-L-valyl-L-isoleucyl-L-phenylalaninate | Formula: | C28 H48 N4 O5 | SMILES: | O=C(OC)C(NC(=O)C(NC(=O)C(NCC(O)C(N)CC(C)C)C(C)C)C(C)CC)Cc1ccccc1 | InChi: | InChI=1S/C28H48N4O5/c1-8-19(6)25(27(35)31-22(28(36)37-7)15-20-12-10-9-11-13-20)32-26(34)24(18(4)5)30-16-23(33)21(29)14-17(2)3/h9-13,17-19,21-25,30,33H,8,14-16,29H2,1-7H3,(H,31,35)(H,32,34)/t19-,21-,22-,23-,24-,25-/m0/s1 | Definition date: | 2008-09-14 | Last modified: | 2011-07-13 | Identifier: | methyl N-[(2S,3S)-3-amino-2-hydroxy-5-methylhexyl]-L-valyl-L-isoleucyl-L-phenylalaninate |
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| 0PO | Name: | N-[(1R)-1-{[(1S,2S)-1-benzyl-3-{(2R,4S)-2-(tert-butylcarbamoyl)-4-[(pyridin-3-ylmethyl)sulfanyl]piperidin-1-yl}-2-hydroxypropyl]carbamoyl}-2-methylpropyl]quinoline-2-carboxamide | Formula: | C41 H52 N6 O4 S | SMILES: | O=C(c1nc2c(cc1)cccc2)NC(C(=O)NC(C(O)CN4C(C(=O)NC(C)(C)C)CC(SCc3cccnc3)CC4)Cc5ccccc5)C(C)C | InChi: | InChI=1S/C41H52N6O4S/c1-27(2)37(45-38(49)33-18-17-30-15-9-10-16-32(30)43-33)40(51)44-34(22-28-12-7-6-8-13-28)36(48)25-47-21-19-31(52-26-29-14-11-20-42-24-29)23-35(47)39(50)46-41(3,4)5/h6-18,20,24,27,31,34-37,48H,19,21-23,25-26H2,1-5H3,(H,44,51)(H,45,49)(H,46,50)/t31-,34+,35+,36-,37+/m1/s1 | Definition date: | 2008-11-07 | Last modified: | 2011-07-13 | Identifier: | N-[(2S)-1-{[(2S,3R)-4-{(2S,4R)-2-(tert-butylcarbamoyl)-4-[(pyridin-3-ylmethyl)sulfanyl]piperidin-1-yl}-3-hydroxy-1-phenylbutan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide |
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| 0PP | Name: | (2S)-2-tert-butyl-N~4~-(1-ethylpropyl)-N~1~-[(2R,3S)-2-hydroxy-4-phenyl-3-{[N-(quinolin-2-ylcarbonyl)-L-threonyl]amino}butyl]butanediamide | Formula: | C37 H51 N5 O6 | SMILES: | O=C(NC(CC)CC)CC(C(=O)NCC(O)C(NC(=O)C(NC(=O)c1nc2ccccc2cc1)C(O)C)Cc3ccccc3)C(C)(C)C | InChi: | InChI=1S/C37H51N5O6/c1-7-26(8-2)39-32(45)21-27(37(4,5)6)34(46)38-22-31(44)30(20-24-14-10-9-11-15-24)41-36(48)33(23(3)43)42-35(47)29-19-18-25-16-12-13-17-28(25)40-29/h9-19,23,26-27,30-31,33,43-44H,7-8,20-22H2,1-6H3,(H,38,46)(H,39,45)(H,41,48)(H,42,47)/t23-,27+,30+,31-,33+/m1/s1 | Definition date: | 2008-11-07 | Last modified: | 2011-07-13 | Identifier: | (2R)-2-tert-butyl-N~1~-[(2R,3S)-2-hydroxy-4-phenyl-3-{[N-(quinolin-2-ylcarbonyl)-L-threonyl]amino}butyl]-N~4~-(pentan-3-yl)butanediamide |
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| 0QH | Name: | (1R)-1-benzyl-1-methyl-1-(2-{[4-(1-methylethyl)phenyl]amino}-2-oxoethyl)-2-{(2S)-4-methyl-2-[(trifluoroacetyl)amino]pentanoyl}diazanium | Formula: | C27 H36 F3 N4 O3 | SMILES: | O=C(Nc1ccc(cc1)C(C)C)C[N+](NC(=O)C(NC(=O)C(F)(F)F)CC(C)C)(Cc2ccccc2)C | InChi: | InChI=1S/C27H35F3N4O3/c1-18(2)15-23(32-26(37)27(28,29)30)25(36)33-34(5,16-20-9-7-6-8-10-20)17-24(35)31-22-13-11-21(12-14-22)19(3)4/h6-14,18-19,23H,15-17H2,1-5H3,(H2-,31,32,33,35,36,37)/p+1/t23-,34+/m0/s1 | Definition date: | 2008-11-07 | Last modified: | 2011-07-13 | Identifier: | (1R)-1-benzyl-1-methyl-1-(2-{[4-(1-methylethyl)phenyl]amino}-2-oxoethyl)-2-{(2S)-4-methyl-2-[(trifluoroacetyl)amino]pentanoyl}diazanium |
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| 0QI | Name: | O-methyl-N-[(2S)-4-methyl-2-(sulfanylmethyl)pentanoyl]-L-tyrosine | Formula: | C17 H25 N O4 S | SMILES: | O=C(O)C(NC(=O)C(CC(C)C)CS)Cc1ccc(OC)cc1 | InChi: | InChI=1S/C17H25NO4S/c1-11(2)8-13(10-23)16(19)18-15(17(20)21)9-12-4-6-14(22-3)7-5-12/h4-7,11,13,15,23H,8-10H2,1-3H3,(H,18,19)(H,20,21)/t13-,15+/m1/s1 | Definition date: | 2008-11-10 | Last modified: | 2011-07-13 | Identifier: | O-methyl-N-[(2S)-4-methyl-2-(sulfanylmethyl)pentanoyl]-L-tyrosine |
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| 0QN | Name: | N-(trifluoroacetyl)-L-valyl-N-[4-(trifluoromethyl)phenyl]-L-alaninamide | Formula: | C17 H19 F6 N3 O3 | SMILES: | O=C(Nc1ccc(cc1)C(F)(F)F)C(NC(=O)C(NC(=O)C(F)(F)F)C(C)C)C | InChi: | InChI=1S/C17H19F6N3O3/c1-8(2)12(26-15(29)17(21,22)23)14(28)24-9(3)13(27)25-11-6-4-10(5-7-11)16(18,19)20/h4-9,12H,1-3H3,(H,24,28)(H,25,27)(H,26,29)/t9-,12-/m0/s1 | Definition date: | 2008-09-14 | Last modified: | 2011-07-13 | Identifier: | N-(trifluoroacetyl)-L-valyl-N-[4-(trifluoromethyl)phenyl]-L-alaninamide |
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| 1Z1 | Name: | N-(dimethylsulfamoyl)-L-phenylalanyl-N-[(1S,2S)-2-hydroxy-4-{[(2S)-2-methylbutyl]amino}-1-(2-methylpropyl)-4-oxobutyl]-N~6~-(methylcarbamothioyl)-L-lysinamide | Formula: | C32 H57 N7 O6 S2 | SMILES: | O=C(NCC(C)CC)CC(O)C(NC(=O)C(NC(=O)C(NS(=O)(=O)N(C)C)Cc1ccccc1)CCCCNC(=S)NC)CC(C)C | InChi: | InChI=1S/C32H57N7O6S2/c1-8-23(4)21-35-29(41)20-28(40)26(18-22(2)3)37-30(42)25(16-12-13-17-34-32(46)33-5)36-31(43)27(38-47(44,45)39(6)7)19-24-14-10-9-11-15-24/h9-11,14-15,22-23,25-28,38,40H,8,12-13,16-21H2,1-7H3,(H,35,41)(H,36,43)(H,37,42)(H2,33,34,46)/t23-,25-,26-,27-,28-/m0/s1 | Definition date: | 2008-08-19 | Last modified: | 2011-07-13 | Identifier: | N-(dimethylsulfamoyl)-L-phenylalanyl-N-[(3S,4S)-3-hydroxy-6-methyl-1-{[(2S)-2-methylbutyl]amino}-1-oxoheptan-4-yl]-N~6~-(methylcarbamothioyl)-L-lysinamide |
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| 0Z1 | Name: | 6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(1-methylethyl)phenyl]-L-prolinamide | Formula: | C22 H32 F3 N4 O3 | SMILES: | O=C(Nc1ccc(cc1)C(C)C)C2N(C(=O)C(NC(=O)C(F)(F)F)CCCC[NH3+])CCC2 | InChi: | InChI=1S/C22H31F3N4O3/c1-14(2)15-8-10-16(11-9-15)27-19(30)18-7-5-13-29(18)20(31)17(6-3-4-12-26)28-21(32)22(23,24)25/h8-11,14,17-18H,3-7,12-13,26H2,1-2H3,(H,27,30)(H,28,32)/p+1/t17-,18-/m0/s1 | Definition date: | 2008-07-30 | Last modified: | 2011-07-13 | Identifier: | 6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(1-methylethyl)phenyl]-L-prolinamide |
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| 0Z3 | Name: | 6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(1-methylethyl)phenyl]-L-phenylalaninamide | Formula: | C26 H34 F3 N4 O3 | SMILES: | O=C(Nc1ccc(cc1)C(C)C)C(NC(=O)C(NC(=O)C(F)(F)F)CCCC[NH3+])Cc2ccccc2 | InChi: | InChI=1S/C26H33F3N4O3/c1-17(2)19-11-13-20(14-12-19)31-24(35)22(16-18-8-4-3-5-9-18)32-23(34)21(10-6-7-15-30)33-25(36)26(27,28)29/h3-5,8-9,11-14,17,21-22H,6-7,10,15-16,30H2,1-2H3,(H,31,35)(H,32,34)(H,33,36)/p+1/t21-,22-/m0/s1 | Definition date: | 2008-07-30 | Last modified: | 2011-07-13 | Identifier: | 6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(1-methylethyl)phenyl]-L-phenylalaninamide |
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| 0Z4 | Name: | 6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(1-methylethyl)phenyl]-L-leucinamide | Formula: | C23 H36 F3 N4 O3 | SMILES: | O=C(Nc1ccc(cc1)C(C)C)C(NC(=O)C(NC(=O)C(F)(F)F)CCCC[NH3+])CC(C)C | InChi: | InChI=1S/C23H35F3N4O3/c1-14(2)13-19(21(32)28-17-10-8-16(9-11-17)15(3)4)29-20(31)18(7-5-6-12-27)30-22(33)23(24,25)26/h8-11,14-15,18-19H,5-7,12-13,27H2,1-4H3,(H,28,32)(H,29,31)(H,30,33)/p+1/t18-,19-/m0/s1 | Definition date: | 2008-07-30 | Last modified: | 2011-07-13 | Identifier: | 6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(1-methylethyl)phenyl]-L-leucinamide |
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| 0Z9 | Name: | N-[(benzyloxy)carbonyl]-L-leucyl-N-hydroxy-L-alaninamide | Formula: | C17 H25 N3 O5 | SMILES: | O=C(NO)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)C | InChi: | InChI=1S/C17H25N3O5/c1-11(2)9-14(16(22)18-12(3)15(21)20-24)19-17(23)25-10-13-7-5-4-6-8-13/h4-8,11-12,14,24H,9-10H2,1-3H3,(H,18,22)(H,19,23)(H,20,21)/t12-,14-/m0/s1 | Definition date: | 2008-08-05 | Last modified: | 2011-07-13 | Identifier: | N-[(benzyloxy)carbonyl]-L-leucyl-N-hydroxy-L-alaninamide |
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| 0ZB | Name: | N-benzyl-N~2~-[(2R)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-L-alpha-asparagine | Formula: | C18 H25 N3 O6 | SMILES: | O=C(NO)C(C(=O)NC(C(=O)NCc1ccccc1)CC(=O)O)CC(C)C | InChi: | InChI=1S/C18H25N3O6/c1-11(2)8-13(17(25)21-27)16(24)20-14(9-15(22)23)18(26)19-10-12-6-4-3-5-7-12/h3-7,11,13-14,27H,8-10H2,1-2H3,(H,19,26)(H,20,24)(H,21,25)(H,22,23)/t13-,14-/m0/s1 | Definition date: | 2008-12-15 | Last modified: | 2011-07-13 | Identifier: | N-benzyl-N~2~-[(2R)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-L-alpha-asparagine |
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| 0ZL | Name: | N-(ethoxycarbonyl)-L-leucyl-N-[(1R,2S,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-L-leucinamide | Formula: | C29 H55 N3 O6 | SMILES: | O=C(OCC)NC(C(=O)NC(C(=O)NC(CC1CCCCC1)C(O)C(O)CC(C)C)CC(C)C)CC(C)C | InChi: | InChI=1S/C29H55N3O6/c1-8-38-29(37)32-24(15-19(4)5)28(36)31-23(14-18(2)3)27(35)30-22(17-21-12-10-9-11-13-21)26(34)25(33)16-20(6)7/h18-26,33-34H,8-17H2,1-7H3,(H,30,35)(H,31,36)(H,32,37)/t22-,23-,24-,25-,26+/m0/s1 | Definition date: | 2008-08-05 | Last modified: | 2011-07-13 | Identifier: | N-(ethoxycarbonyl)-L-leucyl-N-[(1S,2R,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-L-leucinamide |
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| 0ZN | Name: | N-[(1R)-1-carboxy-3-phenylpropyl]-L-leucyl-L-tryptophan | Formula: | C27 H33 N3 O5 | SMILES: | O=C(O)C(NC(C(=O)NC(C(=O)O)Cc2c1ccccc1nc2)CC(C)C)CCc3ccccc3 | InChi: | InChI=1S/C27H33N3O5/c1-17(2)14-23(29-22(26(32)33)13-12-18-8-4-3-5-9-18)25(31)30-24(27(34)35)15-19-16-28-21-11-7-6-10-20(19)21/h3-11,16-17,22-24,28-29H,12-15H2,1-2H3,(H,30,31)(H,32,33)(H,34,35)/t22-,23-,24-/m0/s1 | Definition date: | 2008-08-05 | Last modified: | 2011-07-13 | Identifier: | N-[(1S)-1-carboxy-3-phenylpropyl]-L-leucyl-L-tryptophan |
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| 0ZQ | Name: | N-{(3S)-3-[(tert-butoxycarbonyl)amino]-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide | Formula: | C38 H49 N5 O7 | SMILES: | O=C(N)C(NC(=O)C(NC(=O)C(NCCC(NC(=O)OC(C)(C)C)Cc1ccccc1)Cc2ccccc2)CCC(=O)O)Cc3ccccc3 | InChi: | InChI=1S/C38H49N5O7/c1-38(2,3)50-37(49)41-29(23-26-13-7-4-8-14-26)21-22-40-32(25-28-17-11-6-12-18-28)36(48)42-30(19-20-33(44)45)35(47)43-31(34(39)46)24-27-15-9-5-10-16-27/h4-18,29-32,40H,19-25H2,1-3H3,(H2,39,46)(H,41,49)(H,42,48)(H,43,47)(H,44,45)/t29-,30+,31+,32+/m1/s1 | Definition date: | 2008-08-12 | Last modified: | 2011-07-13 | Identifier: | N-{(3S)-3-[(tert-butoxycarbonyl)amino]-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide |
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| 0ZR | Name: | N-{(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-glutaminyl-L-phenylalaninamide | Formula: | C38 H50 N6 O7 | SMILES: | O=C(N)C(NC(=O)C(NC(=O)C(NCC(O)C(NC(=O)OC(C)(C)C)Cc1ccccc1)Cc2ccccc2)CCC(=O)N)Cc3ccccc3 | InChi: | InChI=1S/C38H50N6O7/c1-38(2,3)51-37(50)44-29(21-25-13-7-4-8-14-25)32(45)24-41-31(23-27-17-11-6-12-18-27)36(49)42-28(19-20-33(39)46)35(48)43-30(34(40)47)22-26-15-9-5-10-16-26/h4-18,28-32,41,45H,19-24H2,1-3H3,(H2,39,46)(H2,40,47)(H,42,49)(H,43,48)(H,44,50)/t28-,29-,30-,31-,32-/m0/s1 | Definition date: | 2008-08-12 | Last modified: | 2011-07-13 | Identifier: | N-{(2S,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-glutaminyl-L-phenylalaninamide |
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| 0ZS | Name: | N-{(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide | Formula: | C38 H49 N5 O8 | SMILES: | O=C(N)C(NC(=O)C(NC(=O)C(NCC(O)C(NC(=O)OC(C)(C)C)Cc1ccccc1)Cc2ccccc2)CCC(=O)O)Cc3ccccc3 | InChi: | InChI=1S/C38H49N5O8/c1-38(2,3)51-37(50)43-29(21-25-13-7-4-8-14-25)32(44)24-40-31(23-27-17-11-6-12-18-27)36(49)41-28(19-20-33(45)46)35(48)42-30(34(39)47)22-26-15-9-5-10-16-26/h4-18,28-32,40,44H,19-24H2,1-3H3,(H2,39,47)(H,41,49)(H,42,48)(H,43,50)(H,45,46)/t28-,29-,30-,31-,32+/m0/s1 | Definition date: | 2008-08-13 | Last modified: | 2011-07-13 | Identifier: | N-{(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide |
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| 0ZT | Name: | N-{(2S,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide | Formula: | C38 H49 N5 O8 | SMILES: | O=C(N)C(NC(=O)C(NC(=O)C(NCC(O)C(NC(=O)OC(C)(C)C)Cc1ccccc1)Cc2ccccc2)CCC(=O)O)Cc3ccccc3 | InChi: | InChI=1S/C38H49N5O8/c1-38(2,3)51-37(50)43-29(21-25-13-7-4-8-14-25)32(44)24-40-31(23-27-17-11-6-12-18-27)36(49)41-28(19-20-33(45)46)35(48)42-30(34(39)47)22-26-15-9-5-10-16-26/h4-18,28-32,40,44H,19-24H2,1-3H3,(H2,39,47)(H,41,49)(H,42,48)(H,43,50)(H,45,46)/t28-,29-,30-,31-,32-/m0/s1 | Definition date: | 2008-08-13 | Last modified: | 2011-07-13 | Identifier: | N-{(2S,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide |
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| 2Z5 | Name: | 6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(trifluoromethyl)phenyl]-L-alaninamide | Formula: | C18 H23 F6 N4 O3 | SMILES: | O=C(Nc1ccc(cc1)C(F)(F)F)C(NC(=O)C(NC(=O)C(F)(F)F)CCCC[NH3+])C | InChi: | InChI=1S/C18H22F6N4O3/c1-10(14(29)27-12-7-5-11(6-8-12)17(19,20)21)26-15(30)13(4-2-3-9-25)28-16(31)18(22,23)24/h5-8,10,13H,2-4,9,25H2,1H3,(H,26,30)(H,27,29)(H,28,31)/p+1/t10-,13-/m0/s1 | Definition date: | 2009-01-12 | Last modified: | 2011-07-13 | Identifier: | 6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(trifluoromethyl)phenyl]-L-alaninamide |
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| 01S | Name: | N-[(2R)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-L-alanylglycinamide | Formula: | C12 H22 N4 O5 | SMILES: | O=C(N)CNC(=O)C(NC(=O)C(C(=O)NO)CC(C)C)C | InChi: | InChI=1S/C12H22N4O5/c1-6(2)4-8(12(20)16-21)11(19)15-7(3)10(18)14-5-9(13)17/h6-8,21H,4-5H2,1-3H3,(H2,13,17)(H,14,18)(H,15,19)(H,16,20)/t7-,8-/m0/s1 | Definition date: | 2008-12-12 | Last modified: | 2011-07-13 | Identifier: | N-[(2R)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-L-alanylglycinamide |
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