| N7Q | Name: | ~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethyloxy)phenyl]propanamide | Formula: | C29 H27 Cl N6 O4 | SMILES: | CCC(=O)Nc1cc(ccc1OCCO)c2c[nH]c3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23 | InChi: | InChI=1S/C29H27ClN6O4/c1-2-26(38)36-23-13-18(6-8-25(23)39-12-11-37)21-15-32-28-27(21)29(34-17-33-28)35-19-7-9-24(22(30)14-19)40-16-20-5-3-4-10-31-20/h3-10,13-15,17,37H,2,11-12,16H2,1H3,(H,36,38)(H2,32,33,34,35) | Definition date: | 2019-11-14 | Last modified: | 2024-09-27 | Release date: | 2020-09-30 | Identifier: | ~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethyloxy)phenyl]propanamide |
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| 3A5 | Name: | (2Z,4S)-3-AZA-5-CARBOXYL-2-METHYL-4(METHYLCARBOXY)PENT-2-ENOYL | Formula: | C8 H11 N O6 | SMILES: | O=C(OC)C(/N=C(/C(=O)O)C)CC(=O)O | InChi: | InChI=1S/C8H11NO6/c1-4(7(12)13)9-5(3-6(10)11)8(14)15-2/h5H,3H2,1-2H3,(H,10,11)(H,12,13)/b9-4+/t5-/m0/s1 | Definition date: | 2012-03-28 | Last modified: | 2024-09-27 | Release date: | 2012-10-26 | Identifier: | (3S)-3-[(E)-(1-carboxyethylidene)amino]-4-methoxy-4-oxobutanoic acid (non-preferred name) |
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| N7W | Name: | ~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide | Formula: | C31 H32 Cl N7 O3 | SMILES: | CCC(=O)Nc1cc(ccc1OCCN(C)C)c2c[nH]c3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23 | InChi: | InChI=1S/C31H32ClN7O3/c1-4-28(40)38-25-15-20(8-10-27(25)41-14-13-39(2)3)23-17-34-30-29(23)31(36-19-35-30)37-21-9-11-26(24(32)16-21)42-18-22-7-5-6-12-33-22/h5-12,15-17,19H,4,13-14,18H2,1-3H3,(H,38,40)(H2,34,35,36,37) | Definition date: | 2019-11-14 | Last modified: | 2024-09-27 | Release date: | 2020-09-30 | Identifier: | ~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide |
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| N7Z | Name: | ~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(3-oxidanylpropoxy)phenyl]propanamide | Formula: | C30 H29 Cl N6 O4 | SMILES: | CCC(=O)Nc1cc(ccc1OCCCO)c2c[nH]c3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23 | InChi: | InChI=1S/C30H29ClN6O4/c1-2-27(39)37-24-14-19(7-9-26(24)40-13-5-12-38)22-16-33-29-28(22)30(35-18-34-29)36-20-8-10-25(23(31)15-20)41-17-21-6-3-4-11-32-21/h3-4,6-11,14-16,18,38H,2,5,12-13,17H2,1H3,(H,37,39)(H2,33,34,35,36) | Definition date: | 2019-11-14 | Last modified: | 2024-09-27 | Release date: | 2020-09-30 | Identifier: | ~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(3-oxidanylpropoxy)phenyl]propanamide |
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| N80 | Name: | 1-ethenyl-L-proline | Formula: | C7 H11 N O2 | SMILES: | O=C(O)C1N(C=C)CCC1 | InChi: | InChI=1S/C7H11NO2/c1-2-8-5-3-4-6(8)7(9)10/h2,6H,1,3-5H2,(H,9,10)/t6-/m0/s1 | Definition date: | 2014-11-25 | Last modified: | 2024-09-27 | Release date: | 2015-03-11 | Identifier: | 1-ethenyl-L-proline |
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| N82 | Name: | ~{N}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide | Formula: | C34 H33 N7 O4 | SMILES: | CCC(=O)Nc1cc(ccc1OCCN(C)C)c2c[nH]c3ncnc(Nc4ccc(CN5C(=O)c6ccccc6C5=O)cc4)c23 | InChi: | InChI=1S/C34H33N7O4/c1-4-29(42)39-27-17-22(11-14-28(27)45-16-15-40(2)3)26-18-35-31-30(26)32(37-20-36-31)38-23-12-9-21(10-13-23)19-41-33(43)24-7-5-6-8-25(24)34(41)44/h5-14,17-18,20H,4,15-16,19H2,1-3H3,(H,39,42)(H2,35,36,37,38) | Definition date: | 2019-11-14 | Last modified: | 2024-09-27 | Release date: | 2020-09-30 | Identifier: | ~{N}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide |
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| N86 | Name: | ~{N}-quinolin-7-ylprop-2-enamide | Formula: | C12 H10 N2 O | SMILES: | C=CC(=O)Nc1ccc2cccnc2c1 | InChi: | InChI=1S/C12H10N2O/c1-2-12(15)14-10-6-5-9-4-3-7-13-11(9)8-10/h2-8H,1H2,(H,14,15) | Definition date: | 2023-01-11 | Last modified: | 2024-09-27 | Release date: | 2023-12-13 | Identifier: | ~{N}-quinolin-7-ylprop-2-enamide |
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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: | 2024-09-27 | Identifier: | 1-(3-amino-1H-1,2,4-triazol-5-yl)-L-histidine |
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| N8L | Name: | 1-[(2~{S})-2-(5-methyl-3-pyridin-4-yl-1~{H}-pyrazol-4-yl)pyrrolidin-1-yl]propan-1-one | Formula: | C16 H20 N4 O | SMILES: | CCC(=O)N1CCC[CH]1c2c(C)[nH]nc2c3ccncc3 | InChi: | InChI=1S/C16H20N4O/c1-3-14(21)20-10-4-5-13(20)15-11(2)18-19-16(15)12-6-8-17-9-7-12/h6-9,13H,3-5,10H2,1-2H3,(H,18,19)/t13-/m0/s1 | Definition date: | 2022-08-12 | Last modified: | 2024-09-27 | Release date: | 2022-09-28 | Identifier: | 1-[(2~{S})-2-(5-methyl-3-pyridin-4-yl-1~{H}-pyrazol-4-yl)pyrrolidin-1-yl]propan-1-one |
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| N8O | Name: | ~{N}-[7-(dimethylamino)-2-methyl-pyrazolo[1,5-a]pyrimidin-5-yl]prop-2-enamide | Formula: | C12 H15 N5 O | SMILES: | CN(C)c1cc(NC(=O)C=C)nc2cc(C)nn12 | InChi: | InChI=1S/C12H15N5O/c1-5-11(18)14-9-7-12(16(3)4)17-10(13-9)6-8(2)15-17/h5-7H,1H2,2-4H3,(H,13,14,18) | Definition date: | 2023-01-11 | Last modified: | 2024-09-27 | Release date: | 2023-12-13 | Identifier: | ~{N}-[7-(dimethylamino)-2-methyl-pyrazolo[1,5-a]pyrimidin-5-yl]prop-2-enamide |
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| 3AZ | Name: | 3-(aminomethyl)benzoic acid | Formula: | C8 H9 N O2 | SMILES: | O=C(O)c1cccc(c1)CN | InChi: | InChI=1S/C8H9NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5,9H2,(H,10,11) | Definition date: | 2010-10-14 | Last modified: | 2024-09-27 | Identifier: | 3-(aminomethyl)benzoic acid |
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| N8U | Name: | ~{N}-(1~{H}-indazol-5-yl)ethanesulfonamide | Formula: | C9 H11 N3 O2 S | SMILES: | CC[S](=O)(=O)Nc1ccc2[nH]ncc2c1 | InChi: | InChI=1S/C9H11N3O2S/c1-2-15(13,14)12-8-3-4-9-7(5-8)6-10-11-9/h3-6,12H,2H2,1H3,(H,10,11) | Definition date: | 2022-08-12 | Last modified: | 2024-09-27 | Release date: | 2022-09-28 | Identifier: | ~{N}-(1~{H}-indazol-5-yl)ethanesulfonamide |
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| N8W | Name: | ~{N}-[(6~{S},7~{R},8~{S},8~{a}~{R})-7,8-bis(oxidanyl)-3-oxidanylidene-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyridin-6-yl]ethanamide | Formula: | C9 H14 N2 O5 | SMILES: | CC(=O)N[CH]1CN2[CH](COC2=O)[CH](O)[CH]1O | InChi: | InChI=1S/C9H14N2O5/c1-4(12)10-5-2-11-6(3-16-9(11)15)8(14)7(5)13/h5-8,13-14H,2-3H2,1H3,(H,10,12)/t5-,6+,7+,8-/m0/s1 | Definition date: | 2019-11-15 | Last modified: | 2024-09-27 | Release date: | 2020-04-08 | Identifier: | ~{N}-[(6~{S},7~{R},8~{S},8~{a}~{R})-7,8-bis(oxidanyl)-3-oxidanylidene-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyridin-6-yl]ethanamide |
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| N95 | Name: | [1-(6-chloropyrimidin-4-yl)-1H-pyrazol-4-yl]boronic acid | Formula: | C7 H6 B Cl N4 O2 | SMILES: | Clc1ncnc(c1)n2ncc(c2)B(O)O | InChi: | InChI=1S/C7H6BClN4O2/c9-6-1-7(11-4-10-6)13-3-5(2-12-13)8(14)15/h1-4,14-15H | Definition date: | 2013-08-06 | Last modified: | 2024-09-27 | Release date: | 2014-07-30 | Identifier: | [1-(6-chloropyrimidin-4-yl)-1H-pyrazol-4-yl]boronic acid |
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| N96 | Name: | ~{N}-(6,7-dihydro-4~{H}-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide | Formula: | C9 H12 N2 O2 S | SMILES: | CCC(=O)Nc1sc2COCCc2n1 | InChi: | InChI=1S/C9H12N2O2S/c1-2-8(12)11-9-10-6-3-4-13-5-7(6)14-9/h2-5H2,1H3,(H,10,11,12) | Definition date: | 2022-08-12 | Last modified: | 2024-09-27 | Release date: | 2022-09-28 | Identifier: | ~{N}-(6,7-dihydro-4~{H}-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide |
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| 3BC | Name: | TERT-BUTYL
[(1S)-1-({(1R,2S,5S)-2-[(3S,10S)-3-(CYCLOPROPYLMETHYL)-12-METHYL-4,5,8,11-TETRAOXO-10-PHENYL-2,6,9,12-TETRAAZATRIDECAN-1
-OYL]-6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEX-3-YL}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE | Formula: | C38 H56 N6 O8 | SMILES: | O=C(N4C(C(=O)NC(C(=O)C(=O)NCC(=O)NC(c1ccccc1)C(=O)N(C)C)CC2CC2)C3C(C)(C3C4)C)C(NC(=O)OC(C)(C)C)C(C)(C)C | InChi: | InChI=1S/C38H56N6O8/c1-36(2,3)30(42-35(51)52-37(4,5)6)34(50)44-20-23-26(38(23,7)8)28(44)31(47)40-24(18-21-16-17-21)29(46)32(48)39-19-25(45)41-27(33(49)43(9)10)22-14-12-11-13-15-22/h11-15,21,23-24,26-28,30H,16-20H2,1-10H3,(H,39,48)(H,40,47)(H,41,45)(H,42,51)/t23-,24-,26-,27-,28-,30+/m0/s1 | Synonyms: | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-PHENYLETHYL)GLYCYL-L-ARGININE-N-PHENYLAMIDE | Definition date: | 2006-01-20 | Last modified: | 2024-09-27 | Identifier: | tert-butyl [(1S)-1-{[(1R,2S,5S)-2-({(1S)-1-(cyclopropylmethyl)-3-[(2-{[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino]-2,3-dioxopropyl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]carbonyl}-2,2-dimethylpropyl]carbamate |
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| N99 | Name: | ~{N}-pyrazolo[1,5-a]pyridin-2-ylprop-2-enamide | Formula: | C10 H9 N3 O | SMILES: | C=CC(=O)Nc1cc2ccccn2n1 | InChi: | InChI=1S/C10H9N3O/c1-2-10(14)11-9-7-8-5-3-4-6-13(8)12-9/h2-7H,1H2,(H,11,12,14) | Definition date: | 2023-01-11 | Last modified: | 2024-09-27 | Release date: | 2023-12-13 | Identifier: | ~{N}-pyrazolo[1,5-a]pyridin-2-ylprop-2-enamide |
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| 3BL | Name: | (2S)-2-({[(3S,4aR,8aS)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal | Formula: | C29 H34 N4 O2 | SMILES: | O=CC(NCC3N(C(=O)c2ccc(c1ccccc1)cc2)CC4CCCCC4C3)Cc5cncn5 | InChi: | InChI=1S/C29H34N4O2/c34-19-27(15-26-16-30-20-32-26)31-17-28-14-24-8-4-5-9-25(24)18-33(28)29(35)23-12-10-22(11-13-23)21-6-2-1-3-7-21/h1-3,6-7,10-13,16,19-20,24-25,27-28,31H,4-5,8-9,14-15,17-18H2,(H,30,32)/t24-,25-,27+,28+/m1/s1 | Definition date: | 2014-07-18 | Last modified: | 2024-09-27 | Release date: | 2015-02-18 | Identifier: | (2S)-2-({[(3S,4aR,8aS)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal |
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| N9K | Name: | (2~{S})-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid | Formula: | C10 H13 N O3 | SMILES: | CN[CH](Cc1ccc(O)cc1)C(O)=O | InChi: | InChI=1S/C10H13NO3/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7/h2-5,9,11-12H,6H2,1H3,(H,13,14)/t9-/m0/s1 | Definition date: | 2019-11-19 | Last modified: | 2024-09-27 | Release date: | 2020-03-04 | Identifier: | (2~{S})-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid |
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| N9L | Name: | ~{N}-(4-phenylpyridin-2-yl)prop-2-enamide | Formula: | C14 H12 N2 O | SMILES: | C=CC(=O)Nc1cc(ccn1)c2ccccc2 | InChi: | InChI=1S/C14H12N2O/c1-2-14(17)16-13-10-12(8-9-15-13)11-6-4-3-5-7-11/h2-10H,1H2,(H,15,16,17) | Definition date: | 2023-01-11 | Last modified: | 2024-09-27 | Release date: | 2023-12-13 | Identifier: | ~{N}-(4-phenylpyridin-2-yl)prop-2-enamide |
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| N9M | Name: | benzyl (carboxyoxy)carbamate | Formula: | C9 H9 N O5 | SMILES: | c1cccc(c1)COC(=O)NOC(O)=O | InChi: | InChI=1S/C9H9NO5/c11-8(10-15-9(12)13)14-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)(H,12,13) | Definition date: | 2019-05-09 | Last modified: | 2024-09-27 | Release date: | 2019-06-12 | Identifier: | benzyl (carboxyoxy)carbamate |
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| N9P | Name: | 3-pyridin-4-yl-L-alanine | Formula: | C8 H10 N2 O2 | SMILES: | NC(C(=O)O)Cc1ccncc1 | InChi: | InChI=1S/C8H10N2O2/c9-7(8(11)12)5-6-1-3-10-4-2-6/h1-4,7H,5,9H2,(H,11,12)/t7-/m0/s1 | Definition date: | 2019-05-09 | Last modified: | 2024-09-27 | Release date: | 2020-04-29 | Identifier: | 3-pyridin-4-yl-L-alanine |
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| 3BV | Name: | N-{(2S)-2-[(morpholin-4-ylacetyl)amino]-4-phenylbutanoyl}-L-leucyl-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-L-phenylalaninamide | Formula: | C40 H61 N5 O7 | SMILES: | O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(CC(C)C)C(O)C(C)CO)Cc1ccccc1)CC(C)C)CCc2ccccc2)CN3CCOCC3 | InChi: | InChI=1S/C40H61N5O7/c1-27(2)22-33(37(48)29(5)26-46)42-40(51)35(24-31-14-10-7-11-15-31)44-39(50)34(23-28(3)4)43-38(49)32(17-16-30-12-8-6-9-13-30)41-36(47)25-45-18-20-52-21-19-45/h6-15,27-29,32-35,37,46,48H,16-26H2,1-5H3,(H,41,47)(H,42,51)(H,43,49)(H,44,50)/t29-,32+,33+,34+,35+,37+/m1/s1 | Synonyms: | CARFILZOMIB, bound form | Definition date: | 2014-07-23 | Last modified: | 2024-09-27 | Release date: | 2015-02-04 | Identifier: | N-{(2S)-2-[(morpholin-4-ylacetyl)amino]-4-phenylbutanoyl}-L-leucyl-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-L-phenylalaninamide |
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| N9R | Name: | ~{N}-[6-(1-methylindol-3-yl)pyrimidin-4-yl]prop-2-enamide | Formula: | C16 H14 N4 O | SMILES: | Cn1cc(c2cc(NC(=O)C=C)ncn2)c3ccccc13 | InChi: | InChI=1S/C16H14N4O/c1-3-16(21)19-15-8-13(17-10-18-15)12-9-20(2)14-7-5-4-6-11(12)14/h3-10H,1H2,2H3,(H,17,18,19,21) | Definition date: | 2023-01-11 | Last modified: | 2024-09-27 | Release date: | 2023-12-13 | Identifier: | ~{N}-[6-(1-methylindol-3-yl)pyrimidin-4-yl]prop-2-enamide |
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| 3BY | Name: | 1-methyl-L-proline | Formula: | C6 H11 N O2 | SMILES: | O=C(O)C1CCCN1C | InChi: | InChI=1S/C6H11NO2/c1-7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1 | Definition date: | 2014-07-23 | Last modified: | 2024-09-27 | Release date: | 2015-07-15 | Identifier: | 1-methyl-L-proline |
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