 | | TXA | | Name: | threonylcarbamoyladenylate | | Formula: | C15 H21 N6 O11 P | | SMILES: | O=C(O)C(NC(=O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(O)C | | InChi: | InChI=1S/C15H21N6O11P/c1-5(22)7(14(25)26)20-15(27)32-33(28,29)30-2-6-9(23)10(24)13(31-6)21-4-19-8-11(16)17-3-18-12(8)21/h3-7,9-10,13,22-24H,2H2,1H3,(H,20,27)(H,25,26)(H,28,29)(H2,16,17,18)/t5-,6-,7+,9-,10-,13-/m1/s1 | | Definition date: | 2012-03-07 | | Last modified: | 2012-03-09 | | Identifier: | (3R,7S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-3-hydroxy-7-[(1R)-1-hydroxyethyl]-5-oxo-2,4-dioxa-6-aza-3-phosphaoctan-8-oic acid 3-oxide (non-preferred name) |
|
 | | 3RI | | Name: | (3S,4R,5R,6S)-1-(2-hydroxyethyl)azepane-3,4,5,6-tetrol | | Formula: | C8 H17 N O5 | | SMILES: | OC1CN(CCO)CC(O)C(O)C1O | | InChi: | InChI=1S/C8H17NO5/c10-2-1-9-3-5(11)7(13)8(14)6(12)4-9/h5-8,10-14H,1-4H2/t5-,6-,7+,8+/m0/s1 | | Definition date: | 2011-04-18 | | Last modified: | 2012-03-09 | | Identifier: | (3S,4R,5R,6S)-1-(2-hydroxyethyl)azepane-3,4,5,6-tetrol |
|
 | | 3RK | | Name: | (3S,4R,5R,6S)-azepane-3,4,5,6-tetrol | | Formula: | C6 H13 N O4 | | SMILES: | OC1C(O)C(O)CNCC1O | | InChi: | InChI=1S/C6H13NO4/c8-3-1-7-2-4(9)6(11)5(3)10/h3-11H,1-2H2/t3-,4-,5+,6+/m0/s1 | | Definition date: | 2011-04-18 | | Last modified: | 2012-03-09 | | Identifier: | (3S,4R,5R,6S)-azepane-3,4,5,6-tetrol |
|
 | | UPN | | Name: | 2-{[(2R,3R,4R,5R,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}prop-2-enoic acid | | Formula: | C20 H29 N3 O19 P2 | | SMILES: | O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(OC(=C)C(=O)O)C3NC(=O)C)CO)O)O | | InChi: | InChI=1S/C20H29N3O19P2/c1-7(18(30)31)38-16-12(21-8(2)25)19(40-9(5-24)14(16)28)41-44(35,36)42-43(33,34)37-6-10-13(27)15(29)17(39-10)23-4-3-11(26)22-20(23)32/h3-4,9-10,12-17,19,24,27-29H,1,5-6H2,2H3,(H,21,25)(H,30,31)(H,33,34)(H,35,36)(H,22,26,32)/t9-,10-,12-,13-,14+,15-,16-,17-,19-/m1/s1 | | Definition date: | 2011-08-01 | | Last modified: | 2012-03-02 | | Identifier: | 2-{[(2R,3R,4R,5R,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}prop-2-enoic acid (non-preferred name) |
|
 | | EPZ | | Name: | (2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoic acid | | Formula: | C20 H31 N3 O19 P2 | | SMILES: | O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(OC(C(=O)O)C)C3NC(=O)C)CO)O)O | | InChi: | InChI=1S/C20H31N3O19P2/c1-7(18(30)31)38-16-12(21-8(2)25)19(40-9(5-24)14(16)28)41-44(35,36)42-43(33,34)37-6-10-13(27)15(29)17(39-10)23-4-3-11(26)22-20(23)32/h3-4,7,9-10,12-17,19,24,27-29H,5-6H2,1-2H3,(H,21,25)(H,30,31)(H,33,34)(H,35,36)(H,22,26,32)/t7-,9-,10-,12-,13-,14-,15-,16-,17-,19-/m1/s1 | | Definition date: | 2011-07-12 | | Last modified: | 2012-03-02 | | Identifier: | (2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoic acid (non-preferred name) |
|
 | | 77D | | Name: | 2-[(2-fluoro-4-iodophenyl)amino]-5,5-dimethyl-8-oxo-N-[(3R)-piperidin-3-yl]-5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepine-3-carboxamide | | Formula: | C22 H26 F I N4 O2 S | | SMILES: | Ic1ccc(c(F)c1)Nc2sc4C(=O)NCC(Cc4c2C(=O)NC3CCCNC3)(C)C | | InChi: | InChI=1S/C22H26FIN4O2S/c1-22(2)9-14-17(19(29)27-13-4-3-7-25-10-13)21(31-18(14)20(30)26-11-22)28-16-6-5-12(24)8-15(16)23/h5-6,8,13,25,28H,3-4,7,9-11H2,1-2H3,(H,26,30)(H,27,29)/t13-/m1/s1 | | Definition date: | 2011-06-30 | | Last modified: | 2012-02-24 | | Identifier: | 2-[(2-fluoro-4-iodophenyl)amino]-5,5-dimethyl-8-oxo-N-[(3R)-piperidin-3-yl]-5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepine-3-carboxamide |
|
 | | V1A | | Name: | S-(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-imidazol-4-yl) methanesulfonothioate | | Formula: | C8 H15 N2 O3 S2 | | SMILES: | ON1C(C(SS(=O)(=O)C)=NC1(C)C)(C)C | | InChi: | InChI=1S/C8H16N2O3S2/c1-7(2)6(14-15(5,12)13)9-8(3,4)10(7)11/h11H,1-5H3 | | Definition date: | 2009-11-09 | | Last modified: | 2012-02-21 | | Identifier: | S-(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-imidazol-4-yl) methanesulfonothioate |
|
 | | R1F | | Name: | S-[(1-oxyl-2,2,5,5-tetramethyl-4-phenyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate | | Formula: | C16 H22 N O3 S2 | | SMILES: | ON1C(C(=C(CSS(=O)(=O)C)C1(C)C)c2ccccc2)(C)C | | InChi: | InChI=1S/C16H23NO3S2/c1-15(2)13(11-21-22(5,19)20)14(16(3,4)17(15)18)12-9-7-6-8-10-12/h6-10,18H,11H2,1-5H3 | | Definition date: | 2005-06-03 | | Last modified: | 2012-02-21 | | Identifier: | S-[(1-hydroxy-2,2,5,5-tetramethyl-4-phenyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate |
|
 | | R7A | | Name: | S-[(4-bromo-1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate | | Formula: | C10 H17 Br N O3 S2 | | SMILES: | BrC1=C(C(N(O)C1(C)C)(C)C)CSS(=O)(=O)C | | InChi: | InChI=1S/C10H18BrNO3S2/c1-9(2)7(6-16-17(5,14)15)8(11)10(3,4)12(9)13/h13H,6H2,1-5H3 | | Definition date: | 2005-07-19 | | Last modified: | 2012-02-21 | | Identifier: | S-[(4-bromo-1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate |
|
 | | HN0 | | Name: | 2'-deoxy-N-[(2S,3S,5R)-5-hydroxy-2-pentyltetrahydrofuran-3-yl]guanosine 5'-(dihydrogen phosphate) | | Formula: | C19 H30 N5 O9 P | | SMILES: | O=P(O)(O)OCC4OC(n1c2N=C(NC(=O)c2nc1)NC3C(OC(O)C3)CCCCC)CC4O | | InChi: | InChI=1S/C19H30N5O9P/c1-2-3-4-5-12-10(6-15(26)33-12)21-19-22-17-16(18(27)23-19)20-9-24(17)14-7-11(25)13(32-14)8-31-34(28,29)30/h9-15,25-26H,2-8H2,1H3,(H2,28,29,30)(H2,21,22,23,27)/t10-,11-,12-,13+,14+,15+/m0/s1 | | Definition date: | 2011-08-15 | | Last modified: | 2012-02-20 | | Identifier: | 2'-deoxy-N-[(2S,3S,5R)-5-hydroxy-2-pentyltetrahydrofuran-3-yl]guanosine 5'-(dihydrogen phosphate) |
|
 | | H4S | | Name: | N-[(2S,3S,4R)-3,4-dihydroxy-1-{[(1S,2S,3R,4R,5S)-2,3,4,5-tetrahydroxycyclohexyl]amino}octadecan-2-yl]hexacosanamide | | Formula: | C50 H100 N2 O7 | | SMILES: | O=C(NC(C(O)C(O)CCCCCCCCCCCCCC)CNC1C(O)C(O)C(O)C(O)C1)CCCCCCCCCCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C50H100N2O7/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-46(55)52-43(41-51-42-40-45(54)49(58)50(59)48(42)57)47(56)44(53)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h42-45,47-51,53-54,56-59H,3-41H2,1-2H3,(H,52,55)/t42-,43-,44+,45-,47-,48-,49+,50+/m0/s1 | | Definition date: | 2011-05-05 | | Last modified: | 2012-02-17 | | Identifier: | N-[(2S,3S,4R)-3,4-dihydroxy-1-{[(1S,2S,3R,4R,5S)-2,3,4,5-tetrahydroxycyclohexyl]amino}octadecan-2-yl]hexacosanamide |
|
 | | HN1 | | Name: | (6S,8R)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-8-hydroxy-6-[(1S)-1-hydroxyhexyl]-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one | | Formula: | C19 H30 N5 O9 P | | SMILES: | O=P(O)(O)OCC4OC(n1cnc3c1NC2=NC(C(O)CCCCC)CC(O)N2C3=O)CC4O | | InChi: | InChI=1S/C19H30N5O9P/c1-2-3-4-5-11(25)10-6-14(27)24-18(28)16-17(22-19(24)21-10)23(9-20-16)15-7-12(26)13(33-15)8-32-34(29,30)31/h9-15,25-27H,2-8H2,1H3,(H,21,22)(H2,29,30,31)/t10-,11-,12-,13+,14+,15+/m0/s1 | | Definition date: | 2011-08-12 | | Last modified: | 2012-02-10 | | Identifier: | (6S,8R)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-8-hydroxy-6-[(1S)-1-hydroxyhexyl]-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one |
|
 | | NI8 | | Name: | (4aS,7aS)-1,4-bis[3-(hydroxymethyl)benzyl]hexahydro-1H-pyrrolo[3,4-b]pyrazine-2,3-dione | | Formula: | C22 H25 N3 O4 | | SMILES: | O=C1C(=O)N(C3CNCC3N1Cc2cccc(c2)CO)Cc4cccc(c4)CO | | InChi: | InChI=1S/C22H25N3O4/c26-13-17-5-1-3-15(7-17)11-24-19-9-23-10-20(19)25(22(29)21(24)28)12-16-4-2-6-18(8-16)14-27/h1-8,19-20,23,26-27H,9-14H2/t19-,20-/m0/s1 | | Definition date: | 2011-02-19 | | Last modified: | 2012-02-10 | | Identifier: | (4aS,7aS)-1,4-bis[3-(hydroxymethyl)benzyl]hexahydro-1H-pyrrolo[3,4-b]pyrazine-2,3-dione |
|
 | | 0CX | | Name: | (2R,3aS,5aR,5bS,9S,13S,14R,16aS,16bR)-9-ethyl-2,13-dihydroxy-14-methyl-2,3,3a,5a,5b,6,9,10,11,12,13,14,16a,16b-tetradecahydro-1H-as-indaceno[3,2-d]oxacyclododecine-7,15-dione | | Formula: | C24 H34 O5 | | SMILES: | O=C3OC(CCCC(O)C(C(=O)C2=CC1C4CC(O)CC4C=CC1C2C3)C)CC | | InChi: | InChI=1S/C24H34O5/c1-3-16-5-4-6-22(26)13(2)24(28)21-11-19-17(20(21)12-23(27)29-16)8-7-14-9-15(25)10-18(14)19/h7-8,11,13-20,22,25-26H,3-6,9-10,12H2,1-2H3/t13-,14-,15-,16+,17-,18-,19-,20+,22+/m1/s1 | | Definition date: | 2011-12-12 | | Last modified: | 2012-02-10 | | Identifier: | (2R,3aS,5aR,5bS,9S,13S,14R,16aS,16bR)-9-ethyl-2,13-dihydroxy-14-methyl-2,3,3a,5a,5b,6,9,10,11,12,13,14,16a,16b-tetradecahydro-1H-as-indaceno[3,2-d]oxacyclododecine-7,15-dione |
|
 | | R8G | | Name: | 2,7-bis[3-(4-methylpiperazin-1-yl)propyl]-4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone | | Formula: | C46 H72 N12 O4 | | SMILES: | O=C6c2c5c3c(c(NCCCN1CCN(C)CC1)c2)C(=O)N(C(=O)c3cc(NCCCN4CCN(C)CC4)c5C(=O)N6CCCN7CCN(CC7)C)CCCN8CCN(C)CC8 | | InChi: | InChI=1S/C46H72N12O4/c1-49-17-25-53(26-18-49)11-5-9-47-37-33-35-40-39-36(44(60)57(45(61)41(37)39)15-7-13-55-29-21-51(3)22-30-55)34-38(48-10-6-12-54-27-19-50(2)20-28-54)42(40)46(62)58(43(35)59)16-8-14-56-31-23-52(4)24-32-56/h33-34,47-48H,5-32H2,1-4H3 | | Definition date: | 2011-06-17 | | Last modified: | 2012-02-10 | | Identifier: | 2,7-bis[3-(4-methylpiperazin-1-yl)propyl]-4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone |
|
 | | KBI | | Name: | trans-4-({9-[(3S)-tetrahydrofuran-3-yl]-8-[(2,4,6-trifluorophenyl)amino]-9H-purin-2-yl}amino)cyclohexanol | | Formula: | C21 H23 F3 N6 O2 | | SMILES: | Fc1cc(F)cc(F)c1Nc3nc2cnc(nc2n3C4CCOC4)NC5CCC(O)CC5 | | InChi: | InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12-,13-,14-/m0/s1 | | Definition date: | 2011-10-05 | | Last modified: | 2012-01-27 | | Identifier: | trans-4-({9-[(3S)-tetrahydrofuran-3-yl]-8-[(2,4,6-trifluorophenyl)amino]-9H-purin-2-yl}amino)cyclohexanol |
|
 | | LU1 | | Name: | 4'-fluoro-4,5-dihydroxy-N-{(2E)-3-[(2S,4R,5R)-4-hydroxy-5-(6-methyl-9H-purin-9-yl)tetrahydrofuran-2-yl]prop-2-en-1-yl}biphenyl-3-carboxamide | | Formula: | C26 H24 F N5 O5 | | SMILES: | Fc1ccc(cc1)c2cc(c(O)c(O)c2)C(=O)NC/C=C/C5OC(n4cnc3c(ncnc34)C)C(O)C5 | | InChi: | InChI=1S/C26H24FN5O5/c1-14-22-24(30-12-29-14)32(13-31-22)26-21(34)11-18(37-26)3-2-8-28-25(36)19-9-16(10-20(33)23(19)35)15-4-6-17(27)7-5-15/h2-7,9-10,12-13,18,21,26,33-35H,8,11H2,1H3,(H,28,36)/b3-2+/t18-,21-,26-/m1/s1 | | Definition date: | 2011-04-21 | | Last modified: | 2012-01-27 | | Identifier: | 4'-fluoro-4,5-dihydroxy-N-{(2E)-3-[(2S,4R,5R)-4-hydroxy-5-(6-methyl-9H-purin-9-yl)tetrahydrofuran-2-yl]prop-2-en-1-yl}biphenyl-3-carboxamide |
|
 | | NI7 | | Name: | (4aS,7aS)-1,4-bis(3-hydroxybenzyl)hexahydro-1H-pyrrolo[3,4-b]pyrazine-2,3-dione | | Formula: | C20 H21 N3 O4 | | SMILES: | O=C1C(=O)N(C3CNCC3N1Cc2cccc(O)c2)Cc4cccc(O)c4 | | InChi: | InChI=1S/C20H21N3O4/c24-15-5-1-3-13(7-15)11-22-17-9-21-10-18(17)23(20(27)19(22)26)12-14-4-2-6-16(25)8-14/h1-8,17-18,21,24-25H,9-12H2/t17-,18-/m0/s1 | | Definition date: | 2011-02-08 | | Last modified: | 2012-01-27 | | Identifier: | (4aS,7aS)-1,4-bis(3-hydroxybenzyl)hexahydro-1H-pyrrolo[3,4-b]pyrazine-2,3-dione |
|
 | | TNP | | Name: | 3,5,6,8-TETRAMETHYL-N-METHYL PHENANTHROLINIUM | | Formula: | C17 H19 N2 | | SMILES: | n2cc(cc3c(c(c1cc(c[n+](c1c23)C)C)C)C)C | | InChi: | InChI=1S/C17H19N2/c1-10-6-14-12(3)13(4)15-7-11(2)9-19(5)17(15)16(14)18-8-10/h6-9H,1-5H3/q+1 | | Definition date: | 1999-07-08 | | Last modified: | 2012-01-25 | | Identifier: | 1,3,5,6,8-pentamethyl-1,10-phenanthrolin-1-ium |
|
 | | 0FX | | Name: | dTDP-4-amino-4,6-dideoxyglucose | | Formula: | C16 H27 N3 O14 P2 | | SMILES: | O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP(=O)(OC3OC(C(N)C(O)C3O)C)O)O)C | | InChi: | InChI=1S/C16H27N3O14P2/c1-6-4-19(16(24)18-14(6)23)10-3-8(20)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(17)7(2)30-15/h4,7-13,15,20-22H,3,5,17H2,1-2H3,(H,25,26)(H,27,28)(H,18,23,24)/t7-,8+,9-,10-,11-,12+,13-,15-/m1/s1 | | Definition date: | 2012-01-04 | | Last modified: | 2012-01-20 | | Identifier: | (2R,3R,4S,5S,6R)-5-amino-3,4-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
|
 | | 6ME | | Name: | (6S)-6-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine | | Formula: | C9 H14 N4 | | SMILES: | n1c2c(c(nc1N)N)CC(CC2)C | | InChi: | InChI=1S/C9H14N4/c1-5-2-3-7-6(4-5)8(10)13-9(11)12-7/h5H,2-4H2,1H3,(H4,10,11,12,13)/t5-/m0/s1 | | Definition date: | 2011-04-07 | | Last modified: | 2012-01-20 | | Identifier: | (6S)-6-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine |
|
 | | 0C7 | | Name: | N~4~-(2-chlorophenyl)-N~2~-[4-(1H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine | | Formula: | C17 H13 Cl N8 | | SMILES: | Clc1ccccc1Nc2nc(ncc2)Nc4ccc(c3nnnn3)cc4 | | InChi: | InChI=1S/C17H13ClN8/c18-13-3-1-2-4-14(13)21-15-9-10-19-17(22-15)20-12-7-5-11(6-8-12)16-23-25-26-24-16/h1-10H,(H2,19,20,21,22)(H,23,24,25,26) | | Definition date: | 2011-12-02 | | Last modified: | 2012-01-20 | | Identifier: | N~4~-(2-chlorophenyl)-N~2~-[4-(1H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine |
|
 | | 35Y | | Name: | 3-[(1H-tetrazol-5-ylcarbonyl)amino]-L-alanine | | Formula: | C5 H8 N6 O3 | | SMILES: | O=C(NCC(C(=O)O)N)c1nnnn1 | | InChi: | InChI=1S/C5H8N6O3/c6-2(5(13)14)1-7-4(12)3-8-10-11-9-3/h2H,1,6H2,(H,7,12)(H,13,14)(H,8,9,10,11)/t2-/m0/s1 | | Definition date: | 2010-04-13 | | Last modified: | 2012-01-13 | | Identifier: | 3-[(1H-tetrazol-5-ylcarbonyl)amino]-L-alanine |
|
 | | 7ME | | Name: | (7S)-7-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine | | Formula: | C9 H14 N4 | | SMILES: | n1c2c(c(nc1N)N)CCC(C2)C | | InChi: | InChI=1S/C9H14N4/c1-5-2-3-6-7(4-5)12-9(11)13-8(6)10/h5H,2-4H2,1H3,(H4,10,11,12,13)/t5-/m0/s1 | | Definition date: | 2011-04-07 | | Last modified: | 2012-01-13 | | Identifier: | (7S)-7-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine |
|
 | | 00U | | Name: | (1S,7S)-7-amino-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxylic acid | | Formula: | C15 H19 N3 O3 | | SMILES: | O=C(O)C2N1C(=O)C(N)(CCN1CC2)Cc3ccccc3 | | InChi: | InChI=1S/C15H19N3O3/c16-15(10-11-4-2-1-3-5-11)7-9-17-8-6-12(13(19)20)18(17)14(15)21/h1-5,12H,6-10,16H2,(H,19,20)/t12-,15+/m0/s1 | | Definition date: | 2010-11-12 | | Last modified: | 2012-01-13 | | Identifier: | (1S,7S)-7-amino-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxylic acid |
|
