 | | FDR | | Name: | 2-methyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one | | Formula: | C10 H10 N2 O S | | SMILES: | O=C1c2c3c(sc2N=C(N1)C)CCC3 | | InChi: | InChI=1S/C10H10N2OS/c1-5-11-9(13)8-6-3-2-4-7(6)14-10(8)12-5/h2-4H2,1H3,(H,11,12,13) | | Definition date: | 2011-06-29 | | Last modified: | 2011-07-15 | | Identifier: | 2-methyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one |
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 | | 1DI | | Name: | (2R)-2-amino-3-(2,4-dichlorophenyl)-1-(1,3-dihydro-2H-isoindol-2-yl)propan-1-one | | Formula: | C17 H16 Cl2 N2 O | | SMILES: | Clc1ccc(c(Cl)c1)CC(N)C(=O)N3Cc2ccccc2C3 | | InChi: | InChI=1S/C17H16Cl2N2O/c18-14-6-5-11(15(19)8-14)7-16(20)17(22)21-9-12-3-1-2-4-13(12)10-21/h1-6,8,16H,7,9-10,20H2/t16-/m1/s1 | | Definition date: | 2011-06-16 | | Last modified: | 2011-07-15 | | Identifier: | (2R)-2-amino-3-(2,4-dichlorophenyl)-1-(1,3-dihydro-2H-isoindol-2-yl)propan-1-one |
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 | | 0BB | | Name: | 4-{3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}butanoic acid | | Formula: | C21 H20 N2 O3 S | | SMILES: | O=C(O)CCCN2c1ccccc1N(C2=O)Cc3c4c(cccc4sc3)C | | InChi: | InChI=1S/C21H20N2O3S/c1-14-6-4-9-18-20(14)15(13-27-18)12-23-17-8-3-2-7-16(17)22(21(23)26)11-5-10-19(24)25/h2-4,6-9,13H,5,10-12H2,1H3,(H,24,25) | | Definition date: | 2011-05-23 | | Last modified: | 2011-07-15 | | Identifier: | 4-{3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}butanoic acid |
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 | | 0DI | | Name: | (2R)-2-amino-3-(3-chlorophenyl)-1-[4-(2,5-difluorobenzoyl)piperazin-1-yl]propan-1-one | | Formula: | C20 H20 Cl F2 N3 O2 | | SMILES: | O=C(N2CCN(C(=O)c1cc(F)ccc1F)CC2)C(N)Cc3cccc(Cl)c3 | | InChi: | InChI=1S/C20H20ClF2N3O2/c21-14-3-1-2-13(10-14)11-18(24)20(28)26-8-6-25(7-9-26)19(27)16-12-15(22)4-5-17(16)23/h1-5,10,12,18H,6-9,11,24H2/t18-/m1/s1 | | Definition date: | 2011-06-16 | | Last modified: | 2011-07-15 | | Identifier: | (2R)-2-amino-3-(3-chlorophenyl)-1-[4-(2,5-difluorobenzoyl)piperazin-1-yl]propan-1-one |
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 | | M7M | | Name: | N,N,7-trimethylguanosine 5'-(trihydrogen diphosphate) | | Formula: | C13 H23 N5 O11 P2 | | SMILES: | O=P(O)(O)OP(=O)(O)OCC3OC(N1C2=C(N(C1)C)C(=O)N=C(N(C)C)N2)C(O)C3O | | InChi: | InChI=1S/C13H23N5O11P2/c1-16(2)13-14-10-7(11(21)15-13)17(3)5-18(10)12-9(20)8(19)6(28-12)4-27-31(25,26)29-30(22,23)24/h6,8-9,12,19-20H,4-5H2,1-3H3,(H,25,26)(H,14,15,21)(H2,22,23,24)/t6-,8-,9-,12-/m1/s1 | | Definition date: | 2010-04-05 | | Last modified: | 2011-07-15 | | Identifier: | N,N,7-trimethylguanosine 5'-(trihydrogen diphosphate) |
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 | | O2W | | Name: | methyl ({[(3aR,4R,7R,7aR)-2-(4-aminophenyl)-1,3-dioxooctahydro-4H-4,7-ethanoisoindol-4-yl]carbamoyl}oxy)acetate | | Formula: | C20 H23 N3 O6 | | SMILES: | O=C(OC)COC(=O)NC24CCC(C1C(=O)N(C(=O)C12)c3ccc(N)cc3)CC4 | | InChi: | InChI=1S/C20H23N3O6/c1-28-14(24)10-29-19(27)22-20-8-6-11(7-9-20)15-16(20)18(26)23(17(15)25)13-4-2-12(21)3-5-13/h2-5,11,15-16H,6-10,21H2,1H3,(H,22,27)/t11-,15-,16+,20-/m1/s1 | | Definition date: | 2010-10-28 | | Last modified: | 2011-07-15 | | Identifier: | methyl ({[(3aR,4R,7R,7aR)-2-(4-aminophenyl)-1,3-dioxooctahydro-4H-4,7-ethanoisoindol-4-yl]carbamoyl}oxy)acetate |
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 | | 3OE | | Name: | 4-(benzyloxy)-N-[(2S,3R)-3-hydroxy-1-{[(2S)-1-{[(3-methylthiophen-2-yl)methyl]amino}-1-oxo-4-phenylbutan-2-yl]amino}-1-oxobutan-2-yl]benzamide | | Formula: | C34 H37 N3 O5 S | | SMILES: | O=C(c2ccc(OCc1ccccc1)cc2)NC(C(=O)NC(C(=O)NCc3sccc3C)CCc4ccccc4)C(O)C | | InChi: | InChI=1S/C34H37N3O5S/c1-23-19-20-43-30(23)21-35-33(40)29(18-13-25-9-5-3-6-10-25)36-34(41)31(24(2)38)37-32(39)27-14-16-28(17-15-27)42-22-26-11-7-4-8-12-26/h3-12,14-17,19-20,24,29,31,38H,13,18,21-22H2,1-2H3,(H,35,40)(H,36,41)(H,37,39)/t24-,29+,31+/m1/s1 | | Definition date: | 2011-06-27 | | Last modified: | 2011-07-15 | | Identifier: | 4-(benzyloxy)-N-[(2S,3R)-3-hydroxy-1-{[(2S)-1-{[(3-methylthiophen-2-yl)methyl]amino}-1-oxo-4-phenylbutan-2-yl]amino}-1-oxobutan-2-yl]benzamide |
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 | | VWW | | Name: | L-gamma-glutamyl-S-benzyl-N-[(S)-carboxy(phenyl)methyl]-L-cysteinamide | | Formula: | C23 H27 N3 O6 S | | SMILES: | O=C(O)C(N)CCC(=O)NC(C(=O)NC(c1ccccc1)C(=O)O)CSCc2ccccc2 | | InChi: | InChI=1S/C23H27N3O6S/c24-17(22(29)30)11-12-19(27)25-18(14-33-13-15-7-3-1-4-8-15)21(28)26-20(23(31)32)16-9-5-2-6-10-16/h1-10,17-18,20H,11-14,24H2,(H,25,27)(H,26,28)(H,29,30)(H,31,32)/t17-,18-,20+/m0/s1 | | Definition date: | 2009-02-05 | | Last modified: | 2011-07-13 | | Identifier: | L-gamma-glutamyl-S-benzyl-N-[(R)-carboxy(phenyl)methyl]-L-cysteinamide |
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 | | P0H | | Name: | N-[(benzyloxy)carbonyl]glycyl-L-proline | | Formula: | C15 H18 N2 O5 | | SMILES: | O=C(N1C(C(=O)O)CCC1)CNC(=O)OCc2ccccc2 | | InChi: | InChI=1S/C15H18N2O5/c18-13(17-8-4-7-12(17)14(19)20)9-16-15(21)22-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,16,21)(H,19,20)/t12-/m0/s1 | | Definition date: | 2010-11-12 | | Last modified: | 2011-07-13 | | Identifier: | N-[(benzyloxy)carbonyl]glycyl-L-proline |
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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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 | | 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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