 | | 2I0 | | Name: | 1-[(3~{S})-3-[4-(6,7-dimethoxyquinazolin-4-yl)-3-(3-methoxyphenyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one | | Formula: | C27 H29 N5 O4 | | SMILES: | CCC(=O)N1CC[CH](C1)n2cc(c(n2)c3cccc(OC)c3)c4ncnc5cc(OC)c(OC)cc45 | | InChi: | InChI=1S/C27H29N5O4/c1-5-25(33)31-10-9-18(14-31)32-15-21(26(30-32)17-7-6-8-19(11-17)34-2)27-20-12-23(35-3)24(36-4)13-22(20)28-16-29-27/h6-8,11-13,15-16,18H,5,9-10,14H2,1-4H3/t18-/m0/s1 | | Definition date: | 2023-07-11 | | Last modified: | 2024-09-27 | | Release date: | 2024-06-05 | | Identifier: | 1-[(3~{S})-3-[4-(6,7-dimethoxyquinazolin-4-yl)-3-(3-methoxyphenyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one |
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 | | 2I6 | | Name: | 1-[3-[7-methoxy-4-[3-(3-methoxyphenyl)-1~{H}-pyrazol-4-yl]quinazolin-6-yl]oxyazetidin-1-yl]propan-1-one | | Formula: | C25 H25 N5 O4 | | SMILES: | CCC(=O)N1CC(C1)Oc2cc3c(cc2OC)ncnc3c4c[nH]nc4c5cccc(OC)c5 | | InChi: | InChI=1S/C25H25N5O4/c1-4-23(31)30-12-17(13-30)34-22-9-18-20(10-21(22)33-3)26-14-27-25(18)19-11-28-29-24(19)15-6-5-7-16(8-15)32-2/h5-11,14,17H,4,12-13H2,1-3H3,(H,28,29) | | Definition date: | 2023-07-11 | | Last modified: | 2024-09-27 | | Release date: | 2024-06-05 | | Identifier: | 1-[3-[7-methoxy-4-[3-(3-methoxyphenyl)-1~{H}-pyrazol-4-yl]quinazolin-6-yl]oxyazetidin-1-yl]propan-1-one |
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 | | 2IX | | Name: | N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-N-methyl-1-(prop-2-enoyl)piperidine-4-carboxamide | | Formula: | C28 H37 F2 N11 O4 | | SMILES: | C=CC(=O)N1CCC(CC1)C(=O)N(C)CC(=O)N1CCN(CC1)c1nc(nc(n1)c1cnc(N)nc1C(F)F)N1CCOCC1 | | InChi: | InChI=1S/C28H37F2N11O4/c1-3-20(42)38-6-4-18(5-7-38)25(44)37(2)17-21(43)39-8-10-40(11-9-39)27-34-24(19-16-32-26(31)33-22(19)23(29)30)35-28(36-27)41-12-14-45-15-13-41/h3,16,18,23H,1,4-15,17H2,2H3,(H2,31,32,33) | | Definition date: | 2021-06-30 | | Last modified: | 2024-09-27 | | Release date: | 2022-04-06 | | Identifier: | N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-N-methyl-1-(prop-2-enoyl)piperidine-4-carboxamide |
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 | | G6K | | Name: | 1-[(3S)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]propan-1-one | | Formula: | C22 H28 N8 O2 S | | SMILES: | O=C(N5CCC(Nc1nc(cc(n1)Nc2nc3cccnc3s2)CN4CCOCC4)C5)CC | | InChi: | InChI=1S/C22H28N8O2S/c1-2-19(31)30-7-5-15(14-30)24-21-25-16(13-29-8-10-32-11-9-29)12-18(27-21)28-22-26-17-4-3-6-23-20(17)33-22/h3-4,6,12,15H,2,5,7-11,13-14H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1 | | Definition date: | 2013-05-03 | | Last modified: | 2024-09-27 | | Release date: | 2013-08-21 | | Identifier: | 1-[(3S)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]propan-1-one |
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 | | G7I | | Name: | Brigimadlin | | Formula: | C31 H25 Cl2 F N4 O3 | | SMILES: | Cc1c(ccc2c3C[CH]4[CH]([CH](c5cccc(Cl)c5F)[C]6(N4CC7CC7)C(=O)Nc8cc(Cl)ccc68)n3nc12)C(O)=O | | InChi: | InChI=1S/C31H25Cl2FN4O3/c1-14-17(29(39)40)8-9-18-23-12-24-28(38(23)36-27(14)18)25(19-3-2-4-21(33)26(19)34)31(37(24)13-15-5-6-15)20-10-7-16(32)11-22(20)35-30(31)41/h2-4,7-11,15,24-25,28H,5-6,12-13H2,1H3,(H,35,41)(H,39,40)/t24-,25-,28+,31+/m0/s1 | | Definition date: | 2023-07-20 | | Last modified: | 2024-09-27 | | Release date: | 2024-10-02 |
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 | | GJJ | | Name: | 6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-{[4-(tert-butylcarbamoyl)phenyl]amino}pyridine-3-carboxamide | | Formula: | C24 H30 N6 O3 | | SMILES: | c2(Nc1ccc(C(NC(C)(C)C)=O)cc1)c(C(=O)N)ccc(n2)N3CCC(NC(=O)C=C)C3 | | InChi: | InChI=1S/C24H30N6O3/c1-5-20(31)26-17-12-13-30(14-17)19-11-10-18(21(25)32)22(28-19)27-16-8-6-15(7-9-16)23(33)29-24(2,3)4/h5-11,17H,1,12-14H2,2-4H3,(H2,25,32)(H,26,31)(H,27,28)(H,29,33)/t17-/m0/s1 | | Definition date: | 2018-05-23 | | Last modified: | 2024-09-27 | | Release date: | 2018-09-05 | | Identifier: | 6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-{[4-(tert-butylcarbamoyl)phenyl]amino}pyridine-3-carboxamide |
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 | | GJY | | Name: | methyl-9Z,12Z,15Z-octadecatrienylphosphonofluoridate | | Formula: | C19 H34 F O2 P | | SMILES: | O=P(OC)(F)CCCCCCCCC=C/CC=C/C[C@H]=[C@H]CC | | InChi: | InChI=1S/C19H34FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20,21)22-2/h4-5,7-8,10-11H,3,6,9,12-19H2,1-2H3/b5-4-,8-7-,11-10-/t23-/m0/s1 | | Synonyms: | Methyl alpha-Linolenyl Fluorophosphonate (MLnFP) | | Definition date: | 2018-05-24 | | Last modified: | 2024-09-27 | | Release date: | 2019-03-27 | | Identifier: | methyl (S)-(9Z,12Z,15Z)-octadeca-9,12,15-trien-1-ylphosphonofluoridate |
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 | | DFK | | Name: | D-PHENYLALANYL-N-[(1S)-4-{[(Z)-AMINO(IMINO)METHYL]AMINO}-1-(CHLOROACETYL)BUTYL]-L-PROLINAMIDE | | Formula: | C21 H34 N6 O3 | | SMILES: | O=C(NC(CCCNC(=[N@H])N)C(O)C)C2N(C(=O)C(N)Cc1ccccc1)CCC2 | | InChi: | InChI=1S/C21H34N6O3/c1-14(28)17(9-5-11-25-21(23)24)26-19(29)18-10-6-12-27(18)20(30)16(22)13-15-7-3-2-4-8-15/h2-4,7-8,14,16-18,28H,5-6,9-13,22H2,1H3,(H,26,29)(H4,23,24,25)/t14?,16-,17+,18+/m1/s1 | | Synonyms: | D-PHENYLALANYL-PROLYL-ARGINYL-CHLOROMETHANE | | Definition date: | 2006-02-03 | | Last modified: | 2024-09-27 | | Identifier: | D-phenylalanyl-N-{(1S)-4-carbamimidamido-1-[(1R)-1-hydroxyethyl]butyl}-L-prolinamide |
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 | | DH4 | | Name: | 2-[(1R)-1-{[(E)-azepan-1-ylmethylidene]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | | Formula: | C15 H25 N3 O3 S | | SMILES: | O=C(O)C1NC(SC1(C)C)C(/N=C/N2CCCCCC2)C=O | | InChi: | InChI=1S/C15H25N3O3S/c1-15(2)12(14(20)21)17-13(22-15)11(9-19)16-10-18-7-5-3-4-6-8-18/h9-13,17H,3-8H2,1-2H3,(H,20,21)/b16-10+/t11-,12?,13?/m1/s1 | | Synonyms: | Mecillinam, bound form | | Definition date: | 2010-06-25 | | Last modified: | 2024-09-27 | | Identifier: | 2-[(1R)-1-{[(E)-azepan-1-ylmethylidene]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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 | | DI2 | | Name: | AC-(D)PHE-PRO-BOROLYS-OH | | Formula: | C21 H33 B N4 O5 | | SMILES: | O=C(NC(B(O)O)CCCCN)C2N(C(=O)C(NC(=O)C)Cc1ccccc1)CCC2 | | InChi: | InChI=1S/C21H33BN4O5/c1-15(27)24-17(14-16-8-3-2-4-9-16)21(29)26-13-7-10-18(26)20(28)25-19(22(30)31)11-5-6-12-23/h2-4,8-9,17-19,30-31H,5-7,10-14,23H2,1H3,(H,24,27)(H,25,28)/t17-,18+,19+/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | N-acetyl-D-phenylalanyl-N-[(1R)-5-amino-1-(dihydroxyboranyl)pentyl]-L-prolinamide |
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 | | DI3 | | Name: | AC-(D)PHE-PRO-BORO-N-BUTYL-AMIDINO-GLYCINE-OH | | Formula: | C22 H34 B N5 O5 | | SMILES: | O=C(NC(B(O)O)CCCCC(=[N@H])N)C2N(C(=O)C(NC(=O)C)Cc1ccccc1)CCC2 | | InChi: | InChI=1S/C22H34BN5O5/c1-15(29)26-17(14-16-8-3-2-4-9-16)22(31)28-13-7-10-18(28)21(30)27-19(23(32)33)11-5-6-12-20(24)25/h2-4,8-9,17-19,32-33H,5-7,10-14H2,1H3,(H3,24,25)(H,26,29)(H,27,30)/t17-,18+,19+/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | N-acetyl-D-phenylalanyl-N-[(1R,6Z)-6-amino-1-(dihydroxyboranyl)-6-iminohexyl]-L-prolinamide |
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 | | DI4 | | Name: | AC-(D)PHE-PRO-BOROHOMOLYS-OH | | Formula: | C22 H35 B N4 O5 | | SMILES: | O=C(NC(B(O)O)CCCCCN)C2N(C(=O)C(NC(=O)C)Cc1ccccc1)CCC2 | | InChi: | InChI=1S/C22H35BN4O5/c1-16(28)25-18(15-17-9-4-2-5-10-17)22(30)27-14-8-11-19(27)21(29)26-20(23(31)32)12-6-3-7-13-24/h2,4-5,9-10,18-20,31-32H,3,6-8,11-15,24H2,1H3,(H,25,28)(H,26,29)/t18-,19+,20+/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | N-acetyl-D-phenylalanyl-N-[(1R)-6-amino-1-(dihydroxyboranyl)hexyl]-L-prolinamide |
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 | | DI5 | | Name: | AC-(D)PHE-PRO-BOROHOMOORNITHINE-OH | | Formula: | C20 H31 B N4 O5 | | SMILES: | O=C(NC(B(O)O)CCCN)C2N(C(=O)C(NC(=O)C)Cc1ccccc1)CCC2 | | InChi: | InChI=1S/C20H31BN4O5/c1-14(26)23-16(13-15-7-3-2-4-8-15)20(28)25-12-6-9-17(25)19(27)24-18(21(29)30)10-5-11-22/h2-4,7-8,16-18,29-30H,5-6,9-13,22H2,1H3,(H,23,26)(H,24,27)/t16-,17+,18+/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | N-acetyl-D-phenylalanyl-N-[(1R)-4-amino-1-(dihydroxyboranyl)butyl]-L-prolinamide |
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 | | DI8 | | Name: | (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid | | Formula: | C10 H11 N O2 | | SMILES: | O=C(O)C2NCc1ccccc1C2 | | InChi: | InChI=1S/C10H11NO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h1-4,9,11H,5-6H2,(H,12,13)/t9-/m0/s1 | | Definition date: | 2014-12-10 | | Last modified: | 2024-09-27 | | Release date: | 2015-01-14 | | Identifier: | (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid |
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 | | DJK | | Name: | N-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-6-YL]-ACRYLAMIDE | | Formula: | C17 H13 Br N4 O | | SMILES: | Brc1cccc(c1)Nc3ncnc2c3cc(cc2)NC(=O)C=C | | InChi: | InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22) | | Definition date: | 2006-08-02 | | Last modified: | 2024-09-27 | | Identifier: | N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}prop-2-enamide |
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 | | DJT | | Name: | (2S,4R)-4-(2-chlorophenyl)sulfonyl-1-[1-(4-fluorophenyl)cyclopropyl]carbonyl-N-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide | | Formula: | C25 H25 Cl F N3 O4 S | | SMILES: | O=S(=O)(c1ccccc1Cl)C5CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C4(c3ccc(F)cc3)CC4)C5 | | InChi: | InChI=1S/C25H25ClFN3O4S/c26-19-3-1-2-4-21(19)35(33,34)18-13-20(22(31)29-24(15-28)9-10-24)30(14-18)23(32)25(11-12-25)16-5-7-17(27)8-6-16/h1-8,15,18,20,28H,9-14H2,(H,29,31)/b28-15+/t18-,20+/m1/s1 | | Definition date: | 2010-10-15 | | Last modified: | 2024-09-27 | | Identifier: | (4R)-4-[(2-chlorophenyl)sulfonyl]-1-{[1-(4-fluorophenyl)cyclopropyl]carbonyl}-N-{1-[(E)-iminomethyl]cyclopropyl}-L-prolinamide |
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 | | DP7 | | Name: | AC-(D)PHE-PRO-BOROARG-OH | | Formula: | C21 H33 B N6 O5 | | SMILES: | O=C(NC(B(O)O)CCCNC(=[N@H])N)C2N(C(=O)C(NC(=O)C)Cc1ccccc1)CCC2 | | InChi: | InChI=1S/C21H33BN6O5/c1-14(29)26-16(13-15-7-3-2-4-8-15)20(31)28-12-6-9-17(28)19(30)27-18(22(32)33)10-5-11-25-21(23)24/h2-4,7-8,16-18,32-33H,5-6,9-13H2,1H3,(H,26,29)(H,27,30)(H4,23,24,25)/t16-,17+,18+/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | N-acetyl-D-phenylalanyl-N-[(1R)-4-carbamimidamido-1-(dihydroxyboranyl)butyl]-L-prolinamide |
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 | | GLO | | Name: | D-glucose | | Formula: | C6 H12 O6 | | SMILES: | O=CC(O)C(O)C(O)C(O)CO | | InChi: | InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1 | | Synonyms: | D-GLUCOSE IN LINEAR FORM | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | D-glucose |
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 | | GN9 | | Name: | gallinamide A, bound form | | Formula: | C31 H54 N4 O7 | | SMILES: | C(C)C(C)C(C(OC(C(=O)NC(C(=O)NC(CCC(=O)N1C(=O)C=C(OC)C1C)C)CC(C)C)CC(C)C)=O)N(C)C | | InChi: | InChI=1S/C31H54N4O7/c1-12-20(6)28(34(9)10)31(40)42-25(16-19(4)5)30(39)33-23(15-18(2)3)29(38)32-21(7)13-14-26(36)35-22(8)24(41-11)17-27(35)37/h17-23,25,28H,12-16H2,1-11H3,(H,32,38)(H,33,39)/t20-,21-,22-,23-,25-,28-/m0/s1 | | Synonyms: | (2S)-1-{[(2S)-1-({(2S)-5-[(2S)-3-methoxy-2-methyl-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-5-oxopentan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]amino}-4-methyl-1-oxopentan-2-yl N,N-dimethyl-L-isoleucinate | | Definition date: | 2020-08-30 | | Last modified: | 2024-09-27 | | Release date: | 2021-08-25 | | Identifier: | (2S)-1-{[(2S)-1-({(2S)-5-[(2S)-3-methoxy-2-methyl-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-5-oxopentan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]amino}-4-methyl-1-oxopentan-2-yl N,N-dimethyl-L-isoleucinate |
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 | | GQK | | Name: | (2~{S})-3-(4-methoxyphenyl)-~{N}-[(2~{S},3~{R})-4-methyl-3,4-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide | | Formula: | C31 H44 N4 O7 | | SMILES: | COc1ccc(C[CH](NC(=O)[CH](C)NC(=O)CN2CCOCC2)C(=O)N[CH](Cc3ccccc3)[CH](O)C(C)(C)O)cc1 | | InChi: | InChI=1S/C31H44N4O7/c1-21(32-27(36)20-35-14-16-42-17-15-35)29(38)34-26(19-23-10-12-24(41-4)13-11-23)30(39)33-25(28(37)31(2,3)40)18-22-8-6-5-7-9-22/h5-13,21,25-26,28,37,40H,14-20H2,1-4H3,(H,32,36)(H,33,39)(H,34,38)/t21-,25-,26-,28+/m0/s1 | | Definition date: | 2018-10-03 | | Last modified: | 2024-09-27 | | Release date: | 2019-01-30 | | Identifier: | (2~{S})-3-(4-methoxyphenyl)-~{N}-[(2~{S},3~{R})-4-methyl-3,4-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide |
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 | | GT8 | | Name: | (2~{S})-~{N}-[(3~{S},4~{R})-1-cyclohexyl-5-methyl-4,5-bis(oxidanyl)hexan-3-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide | | Formula: | C32 H52 N4 O7 | | SMILES: | COc1ccc(C[CH](NC(=O)[CH](C)NC(=O)CN2CCOCC2)C(=O)N[CH](CCC3CCCCC3)[CH](O)C(C)(C)O)cc1 | | InChi: | InChI=1S/C32H52N4O7/c1-22(33-28(37)21-36-16-18-43-19-17-36)30(39)35-27(20-24-10-13-25(42-4)14-11-24)31(40)34-26(29(38)32(2,3)41)15-12-23-8-6-5-7-9-23/h10-11,13-14,22-23,26-27,29,38,41H,5-9,12,15-21H2,1-4H3,(H,33,37)(H,34,40)(H,35,39)/t22-,26-,27-,29+/m0/s1 | | Definition date: | 2018-10-09 | | Last modified: | 2024-09-27 | | Release date: | 2019-01-30 | | Identifier: | (2~{S})-~{N}-[(3~{S},4~{R})-1-cyclohexyl-5-methyl-4,5-bis(oxidanyl)hexan-3-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide |
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 | | GVW | | Name: | (2~{S})-~{N}-[(2~{S},3~{R})-1-[(4~{a}~{S},8~{a}~{S})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-2-yl]-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide | | Formula: | C35 H56 N4 O7 | | SMILES: | COc1ccc(C[CH](NC(=O)[CH](C)NC(=O)CN2CCOCC2)C(=O)N[CH](C[CH]3CC[CH]4CCCC[CH]4C3)[CH](O)C(C)(C)O)cc1 | | InChi: | InChI=1S/C35H56N4O7/c1-23(36-31(40)22-39-15-17-46-18-16-39)33(42)38-30(20-24-10-13-28(45-4)14-11-24)34(43)37-29(32(41)35(2,3)44)21-25-9-12-26-7-5-6-8-27(26)19-25/h10-11,13-14,23,25-27,29-30,32,41,44H,5-9,12,15-22H2,1-4H3,(H,36,40)(H,37,43)(H,38,42)/t23-,25-,26-,27-,29-,30-,32+/m0/s1 | | Definition date: | 2018-10-11 | | Last modified: | 2024-09-27 | | Release date: | 2019-01-30 | | Identifier: | (2~{S})-~{N}-[(2~{S},3~{R})-1-[(4~{a}~{S},8~{a}~{S})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-2-yl]-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide |
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 | | GVZ | | Name: | (2~{S})-~{N}-[(2~{S},3~{R})-1-[(1~{S},4~{a}~{S},8~{a}~{R})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-1-yl]-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide | | Formula: | C35 H56 N4 O7 | | SMILES: | COc1ccc(C[CH](NC(=O)[CH](C)NC(=O)CN2CCOCC2)C(=O)N[CH](C[CH]3CCC[CH]4CCCC[CH]34)[CH](O)C(C)(C)O)cc1 | | InChi: | InChI=1S/C35H56N4O7/c1-23(36-31(40)22-39-16-18-46-19-17-39)33(42)38-30(20-24-12-14-27(45-4)15-13-24)34(43)37-29(32(41)35(2,3)44)21-26-10-7-9-25-8-5-6-11-28(25)26/h12-15,23,25-26,28-30,32,41,44H,5-11,16-22H2,1-4H3,(H,36,40)(H,37,43)(H,38,42)/t23-,25-,26-,28+,29-,30-,32+/m0/s1 | | Definition date: | 2018-10-11 | | Last modified: | 2024-09-27 | | Release date: | 2019-01-30 | | Identifier: | (2~{S})-~{N}-[(2~{S},3~{R})-1-[(1~{S},4~{a}~{S},8~{a}~{R})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-1-yl]-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide |
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 | | GW2 | | Name: | (2~{S})-~{N}-[(2~{S},3~{S},4~{R})-1-[(1~{S},4~{a}~{S},8~{a}~{R})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-1-yl]-4-methyl-3,5-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide | | Formula: | C35 H56 N4 O7 | | SMILES: | COc1ccc(C[CH](NC(=O)[CH](C)NC(=O)CN2CCOCC2)C(=O)N[CH](C[CH]3CCC[CH]4CCCC[CH]34)[CH](O)[CH](C)CO)cc1 | | InChi: | InChI=1S/C35H56N4O7/c1-23(22-40)33(42)30(20-27-9-6-8-26-7-4-5-10-29(26)27)37-35(44)31(19-25-11-13-28(45-3)14-12-25)38-34(43)24(2)36-32(41)21-39-15-17-46-18-16-39/h11-14,23-24,26-27,29-31,33,40,42H,4-10,15-22H2,1-3H3,(H,36,41)(H,37,44)(H,38,43)/t23-,24+,26+,27+,29-,30+,31+,33+/m1/s1 | | Definition date: | 2018-10-11 | | Last modified: | 2024-09-27 | | Release date: | 2019-01-30 | | Identifier: | (2~{S})-~{N}-[(2~{S},3~{S},4~{R})-1-[(1~{S},4~{a}~{S},8~{a}~{R})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-1-yl]-4-methyl-3,5-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide |
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 | | GWK | | Name: | (2~{S})-3-(4-methoxyphenyl)-~{N}-[(2~{S},3~{R})-4-methyl-1-(4-methylcyclohexyl)-3,4-bis(oxidanyl)pentan-2-yl]-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide | | Formula: | C32 H52 N4 O7 | | SMILES: | COc1ccc(C[CH](NC(=O)[CH](C)NC(=O)CN2CCOCC2)C(=O)N[CH](C[CH]3CC[CH](C)CC3)[CH](O)C(C)(C)O)cc1 | | InChi: | InChI=1S/C32H52N4O7/c1-21-6-8-23(9-7-21)18-26(29(38)32(3,4)41)34-31(40)27(19-24-10-12-25(42-5)13-11-24)35-30(39)22(2)33-28(37)20-36-14-16-43-17-15-36/h10-13,21-23,26-27,29,38,41H,6-9,14-20H2,1-5H3,(H,33,37)(H,34,40)(H,35,39)/t21-,22-,23-,26-,27-,29+/m0/s1 | | Definition date: | 2018-10-11 | | Last modified: | 2024-09-27 | | Release date: | 2019-01-30 | | Identifier: | (2~{S})-3-(4-methoxyphenyl)-~{N}-[(2~{S},3~{R})-4-methyl-1-(4-methylcyclohexyl)-3,4-bis(oxidanyl)pentan-2-yl]-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide |
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