 | | H8M | | Name: | (1S)-1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6-methyl-2,3,4,9-tetrahydro-1H-beta-carboline | | Formula: | C21 H23 Cl N2 O2 | | SMILES: | COc4ccc(CC1c2c(CCN1)c3cc(C)ccc3n2)c(c4OC)Cl | | InChi: | InChI=1S/C21H23ClN2O2/c1-12-4-6-16-15(10-12)14-8-9-23-17(20(14)24-16)11-13-5-7-18(25-2)21(26-3)19(13)22/h4-7,10,17,23-24H,8-9,11H2,1-3H3/t17-/m0/s1 | | Synonyms: | LY266097 | | Definition date: | 2018-06-15 | | Last modified: | 2021-03-01 | | Release date: | 2018-08-29 | | Identifier: | (1S)-1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6-methyl-2,3,4,9-tetrahydro-1H-beta-carboline |
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 | | EHD | | Name: | 4-ETHYL-4-HYDROXY-1,12-DIHYDRO-4H-2-OXA-6,12A-DIAZA-DIBENZO[B,H]FLUORENE-3,13-DIONE | | Formula: | C20 H16 N2 O4 | | SMILES: | O=C1N4C(=CC2=C1COC(=O)C2(O)CC)c3nc5c(cc3C4)cccc5 | | InChi: | InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1 | | Synonyms: | CAMPTOTHECIN | | Definition date: | 2004-06-09 | | Last modified: | 2021-03-01 | | Identifier: | (4S)-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione |
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 | | EJ4 | | Name: | (4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol | | Formula: | C26 H26 N2 O3 | | SMILES: | Oc4c3OC7c2c(c1ccccc1n2)CC6(O)C5N(CCC67c3c(cc4)C5)CC8CC8 | | InChi: | InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1 | | Synonyms: | Naltrindole | | Definition date: | 2012-04-13 | | Last modified: | 2021-03-01 | | Identifier: | (4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol |
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 | | EPB | | Name: | 7,11-DIHYDROXY-8,8,10,12,16-PENTAMETHYL-3-[1-METHYL-2-(2-METHYL-THIAZOL-4-YL)VINYL]-4,17-DIOXABICYCLO[14.1.0]HEPTADECANE-5,9-DIONE | | Formula: | C27 H41 N O6 S | | SMILES: | O=C1C(C)C(O)C(C)CCCC3(OC3CC(OC(=O)CC(O)C1(C)C)/C(=C/c2nc(sc2)C)C)C | | InChi: | InChI=1S/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1 | | Synonyms: | EPOTHILONE B | | Definition date: | 2003-08-07 | | Last modified: | 2021-03-01 | | Identifier: | (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione |
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 | | ETS | | Name: | (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE | | Formula: | C10 H16 N2 O4 S3 | | SMILES: | O=S(=O)(c1sc2c(c1)C(NCC)CC(S2(=O)=O)C)N | | InChi: | InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1 | | Synonyms: | Dorzolamide | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (4S,6S)-4-(ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide |
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 | | M1N | | Name: | (1R)-3-METHYL-1-{[N-(MORPHOLIN-4-YLCARBONYL)-3-(1-NAPHTHYL)-D-ALANYL]AMINO}BUTYLBORONIC ACID | | Formula: | C23 H32 B N3 O5 | | SMILES: | O=C(NC(C(=O)NC(B(O)O)CC(C)C)Cc2c1ccccc1ccc2)N3CCOCC3 | | InChi: | InChI=1S/C23H32BN3O5/c1-16(2)14-21(24(30)31)26-22(28)20(25-23(29)27-10-12-32-13-11-27)15-18-8-5-7-17-6-3-4-9-19(17)18/h3-9,16,20-21,30-31H,10-15H2,1-2H3,(H,25,29)(H,26,28)/t20-,21+/m1/s1 | | Synonyms: | N-(4-MORPHOLINE)CARBONYL-B-(1-NAPHTHYL)-L-ALANINE-L-LEUCINE BORONIC ACID | | Definition date: | 2006-01-10 | | Last modified: | 2021-03-01 | | Identifier: | [(1R)-3-methyl-1-({(2R)-2-[(morpholin-4-ylcarbonyl)amino]-3-naphthalen-1-ylpropanoyl}amino)butyl]boronic acid (non-preferred name) |
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 | | 6OJ | | Name: | 7,8-bis(chloranyl)-9-methyl-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one | | Formula: | C12 H10 Cl2 N2 O | | SMILES: | Clc1ccc2c(c1Cl)n(c3c2CCNC3=O)C | | InChi: | InChI=1S/C12H10Cl2N2O/c1-16-10-6(2-3-8(13)9(10)14)7-4-5-15-12(17)11(7)16/h2-3H,4-5H2,1H3,(H,15,17) | | Synonyms: | Dihydro-Bauerine C | | Definition date: | 2012-05-03 | | Last modified: | 2021-03-01 | | Identifier: | 7,8-dichloro-9-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one |
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 | | 6TM | | Name: | 6-[2-[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]phenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxamide | | Formula: | C32 H37 Cl2 N7 O | | SMILES: | Clc1ccc(CCN2CCN(CC2)c3ccccc3c4cc(C(=O)NCCCN5CCCC5)c6c[nH]nc6n4)cc1Cl | | InChi: | InChI=1S/C32H37Cl2N7O/c33-27-9-8-23(20-28(27)34)10-15-40-16-18-41(19-17-40)30-7-2-1-6-24(30)29-21-25(26-22-36-38-31(26)37-29)32(42)35-11-5-14-39-12-3-4-13-39/h1-2,6-9,20-22H,3-5,10-19H2,(H,35,42)(H,36,37,38) | | Synonyms: | AZ931 | | Definition date: | 2016-06-21 | | Last modified: | 2021-03-01 | | Release date: | 2016-12-07 | | Identifier: | 6-[2-[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]phenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxamide |
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 | | 3B8 | | Name: | 2-amino-7-fluoro-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxamide | | Formula: | C13 H8 F N3 O3 | | SMILES: | Fc2cc1C(=O)c3cc(c(nc3Oc1cc2)N)C(=O)N | | InChi: | InChI=1S/C13H8FN3O3/c14-5-1-2-9-6(3-5)10(18)7-4-8(12(16)19)11(15)17-13(7)20-9/h1-4H,(H2,15,17)(H2,16,19) | | Synonyms: | 2-Amino-6-fluoro-10-oxo-10H-9-oxa-1-aza-anthracene-3-carboxylic acid amide | | Definition date: | 2007-11-20 | | Last modified: | 2021-03-01 | | Identifier: | 2-amino-7-fluoro-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxamide |
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 | | MZB | | Name: | (1R,2R,3R,4S,5R)-4-amino-5-[(R)-methylsulfinyl]cyclopentane-1,2,3-triol | | Formula: | C6 H13 N O4 S | | SMILES: | O=S(C1C(O)C(O)C(O)C1N)C | | InChi: | InChI=1S/C6H13NO4S/c1-12(11)6-2(7)3(8)4(9)5(6)10/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5+,6+,12+/m0/s1 | | Synonyms: | MANNOSTATIN B | | Definition date: | 2008-07-25 | | Last modified: | 2021-03-01 | | Identifier: | (1R,2R,3R,4S,5R)-4-amino-5-[(R)-methylsulfinyl]cyclopentane-1,2,3-triol |
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 | | 2R4 | | Name: | 8-(dibenzo[b,d]thiophen-4-yl)-2-(morpholin-4-yl)-4H-chromen-4-one | | Formula: | C25 H19 N O3 S | | SMILES: | O=C5c6cccc(c2cccc1c3c(sc12)cccc3)c6OC(N4CCOCC4)=C5 | | InChi: | InChI=1S/C25H19NO3S/c27-21-15-23(26-11-13-28-14-12-26)29-24-17(6-3-9-20(21)24)19-8-4-7-18-16-5-1-2-10-22(16)30-25(18)19/h1-10,15H,11-14H2 | | Synonyms: | NU7441 | | Definition date: | 2014-01-10 | | Last modified: | 2021-03-01 | | Release date: | 2014-03-05 | | Identifier: | 8-(dibenzo[b,d]thiophen-4-yl)-2-(morpholin-4-yl)-4H-chromen-4-one |
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 | | 2RC | | Name: | [6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-3-oxo-2,3-dihydro-4H-pyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphate | | Formula: | C23 H26 F N6 O9 P | | SMILES: | Fc1cnc(nc1Nc2nc3N(C(=O)C(Oc3cc2)(C)C)COP(=O)(O)O)Nc4cc(OC)c(OC)c(OC)c4 | | InChi: | InChI=1S/C23H26FN6O9P/c1-23(2)21(31)30(11-38-40(32,33)34)20-14(39-23)6-7-17(28-20)27-19-13(24)10-25-22(29-19)26-12-8-15(35-3)18(37-5)16(9-12)36-4/h6-10H,11H2,1-5H3,(H2,32,33,34)(H2,25,26,27,28,29) | | Synonyms: | Fostamatinib | | Definition date: | 2014-01-13 | | Last modified: | 2021-03-01 | | Release date: | 2014-03-05 | | Identifier: | [6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-3-oxo-2,3-dihydro-4H-pyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphate |
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 | | 7BL | | Name: | (4S,5E,8S,9E,11S,13E,15E,18R)-4-hydroxy-8-methoxy-9,11-dimethyl-18-[(1Z,4E)-2-methylhexa-1,4-dien-1-yl]oxacyclooctadeca-5,9,13,15-tetraen-2-one | | Formula: | C27 H40 O4 | | SMILES: | CC=[C@H]CC(=C/C1CC=CC=CCC(C=C(C(OC)CC=CC(CC(O1)=O)O)C)C)C | | InChi: | InChI=1S/C27H40O4/c1-6-7-13-22(3)19-25-16-11-9-8-10-14-21(2)18-23(4)26(30-5)17-12-15-24(28)20-27(29)31-25/h6-12,15,18-19,21,24-26,28H,13-14,16-17,20H2,1-5H3/b7-6+,10-8+,11-9+,15-12+,22-19-,23-18+/t21-,24+,25+,26-/m0/s1 | | Synonyms: | biselyngbyolide B | | Definition date: | 2015-03-16 | | Last modified: | 2021-03-01 | | Release date: | 2016-01-13 | | Identifier: | (4S,5E,8S,9E,11S,13E,15E,18R)-4-hydroxy-8-methoxy-9,11-dimethyl-18-[(1Z,4E)-2-methylhexa-1,4-dien-1-yl]oxacyclooctadeca-5,9,13,15-tetraen-2-one |
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 | | BO2 | | Name: | N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE | | Formula: | C19 H25 B N4 O4 | | SMILES: | O=C(NC(C(=O)NC(B(O)O)CC(C)C)Cc1ccccc1)c2nccnc2 | | InChi: | InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1 | | Synonyms: | BORTEZOMIB | | Definition date: | 2006-01-06 | | Last modified: | 2021-03-01 | | Identifier: | N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]-Nalpha-(pyrazin-2-ylcarbonyl)-L-phenylalaninamide |
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 | | 815 | | Name: | THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1-(1-AMINO-ISOQUINOLIN-7-YLMETHYL)-2-OXO-PYRROLDIN-3-YL]-AMIDE | | Formula: | C21 H19 N5 O3 S2 | | SMILES: | O=C3N(Cc2cc1c(nccc1cc2)N)CCC3NS(=O)(=O)c5sc4cccnc4c5 | | InChi: | InChI=1S/C21H19N5O3S2/c22-20-15-10-13(3-4-14(15)5-8-24-20)12-26-9-6-16(21(26)27)25-31(28,29)19-11-17-18(30-19)2-1-7-23-17/h1-5,7-8,10-11,16,25H,6,9,12H2,(H2,22,24)/t16-/m0/s1 | | Synonyms: | RPR208815 | | Definition date: | 2000-05-22 | | Last modified: | 2021-03-01 | | Identifier: | N-{(3S)-1-[(1-aminoisoquinolin-7-yl)methyl]-2-oxopyrrolidin-3-yl}thieno[3,2-b]pyridine-2-sulfonamide |
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 | | BO9 | | Name: | N1-[(1R)-1-(DIHYDROXYBORYL)ETHYL]-N2-[(TERT-BUTOXYCARBONYL)-D-GAMMA-GLUTAMYL]-N6-[(BENZYLOXY)CARBONYL-L-LYSINAMIDE | | Formula: | C26 H41 B N4 O10 | | SMILES: | O=C(OC(C)(C)C)NC(C(=O)O)CCC(=O)NC(C(=O)NC(B(O)O)C)CCCCNC(=O)OCc1ccccc1 | | InChi: | InChI=1S/C26H41BN4O10/c1-17(27(38)39)29-22(33)19(12-8-9-15-28-24(36)40-16-18-10-6-5-7-11-18)30-21(32)14-13-20(23(34)35)31-25(37)41-26(2,3)4/h5-7,10-11,17,19-20,38-39H,8-9,12-16H2,1-4H3,(H,28,36)(H,29,33)(H,30,32)(H,31,37)(H,34,35)/t17-,19+,20+/m1/s1 | | Synonyms: | BOC-GAMMA-D-GLU-L-LYS(CBZ)-D-BOROALA | | Definition date: | 2005-04-18 | | Last modified: | 2021-03-01 | | Identifier: | N-(tert-butoxycarbonyl)-L-gamma-glutamyl-N~6~-[(benzyloxy)carbonyl]-N-[(1S)-1-(dihydroxyboranyl)ethyl]-L-lysinamide |
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 | | 2BH | | Name: | [(1E,5S)-5-AMINO-5-CARBOXYPENT-1-ENYL](TRIHYDROXY)BORATE(1-) | | Formula: | C6 H13 B N O5 | | SMILES: | O=C(O)C(N)CC/C=C/[B-](O)(O)O | | InChi: | InChI=1S/C6H13BNO5/c8-5(6(9)10)3-1-2-4-7(11,12)13/h2,4-5,11-13H,1,3,8H2,(H,9,10)/q-1/b4-2+/t5-/m0/s1 | | Synonyms: | DEHYDRO-2(S)-AMINO-6-BORONOHEXANOIC ACID | | Definition date: | 2004-06-15 | | Last modified: | 2021-03-01 | | Identifier: | [(1E,5S)-5-amino-5-carboxypent-1-en-1-yl](trihydroxy)borate(1-) |
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 | | JEV | | Name: | N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide | | Formula: | C16 H21 N O2 | | SMILES: | C(NC(CC)=O)CC3CCc2ccc1OCCc1c23 | | InChi: | InChI=1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,12H,2-4,7-10H2,1H3,(H,17,18)/t12-/m0/s1 | | Synonyms: | Ramelteon | | Definition date: | 2018-09-06 | | Last modified: | 2021-03-01 | | Release date: | 2019-04-24 | | Identifier: | N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide |
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 | | NVE | | Name: | diethyl ({4-[2-(11-ethyl-5-methyl-6-oxo-6,11-dihydro-5H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethyl]phenoxy}methyl)phosphonate | | Formula: | C27 H33 N4 O5 P | | SMILES: | O=P(OCC)(OCC)COc1ccc(cc1)CCc4cnc3N(c2ncccc2N(C(=O)c3c4)C)CC | | InChi: | InChI=1S/C27H33N4O5P/c1-5-31-25-23(27(32)30(4)24-9-8-16-28-26(24)31)17-21(18-29-25)11-10-20-12-14-22(15-13-20)34-19-37(33,35-6-2)36-7-3/h8-9,12-18H,5-7,10-11,19H2,1-4H3 | | Synonyms: | nevirapine phosphonate analogue | | Definition date: | 2012-12-03 | | Last modified: | 2021-03-01 | | Release date: | 2013-02-15 | | Identifier: | diethyl ({4-[2-(11-ethyl-5-methyl-6-oxo-6,11-dihydro-5H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethyl]phenoxy}methyl)phosphonate |
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 | | NXK | | Name: | 2-(2-((3-boronobenzyl)carbamoyl)-5-fluorophenoxy)acetic acid | | Formula: | C16 H15 B F N O6 | | SMILES: | OB(O)c1cccc(CNC(=O)c2ccc(F)cc2OCC(O)=O)c1 | | InChi: | InChI=1S/C16H15BFNO6/c18-12-4-5-13(14(7-12)25-9-15(20)21)16(22)19-8-10-2-1-3-11(6-10)17(23)24/h1-7,23-24H,8-9H2,(H,19,22)(H,20,21) | | Synonyms: | 2-[2-[[3-(dihydroxyboranyl)cyclohexyl]methylcarbamoyl]-5-fluoranyl-phenoxy]ethanoic acid | | Definition date: | 2020-01-06 | | Last modified: | 2021-03-01 | | Release date: | 2021-01-27 | | Identifier: | 2-[2-[[3-(dihydroxyboranyl)phenyl]methylcarbamoyl]-5-fluoranyl-phenoxy]ethanoic acid |
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 | | 8MX | | Name: | 1-cyclopropyl-6-fluoro-8-methyl-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | | Formula: | C21 H24 F N3 O3 | | SMILES: | Cc1c(c(cc2c1N(C=C(C2=O)C(O)=O)C3CC3)F)N4CC5C(C4)CCCN5 | | InChi: | InChI=1S/C21H24FN3O3/c1-11-18-14(20(26)15(21(27)28)9-25(18)13-4-5-13)7-16(22)19(11)24-8-12-3-2-6-23-17(12)10-24/h7,9,12-13,17,23H,2-6,8,10H2,1H3,(H,27,28)/t12-,17+/m0/s1 | | Synonyms: | 8-methyl-moxifloxacin | | Definition date: | 2015-06-04 | | Last modified: | 2021-03-01 | | Release date: | 2016-03-02 | | Identifier: | 1-cyclopropyl-6-fluoro-8-methyl-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
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 | | PM7 | | Name: | (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one | | Formula: | C21 H25 N3 O | | SMILES: | N2C(=O)C61CCCN1CC23C(C(c5c(C3)c4c(cccc4)n5)(C)C)C6 | | InChi: | InChI=1S/C21H25N3O/c1-19(2)16-11-21-8-5-9-24(21)12-20(16,23-18(21)25)10-14-13-6-3-4-7-15(13)22-17(14)19/h3-4,6-7,16,22H,5,8-12H2,1-2H3,(H,23,25)/t16-,20+,21-/m0/s1 | | Synonyms: | premalbrancheamide E | | Definition date: | 2017-07-17 | | Last modified: | 2021-03-01 | | Release date: | 2017-08-16 | | Identifier: | (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one |
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 | | PPB | | Name: | 1-{[1-(2-AMINO-3-PHENYL-PROPIONYL)-PYRROLIDINE-2-CARBONYL]-AMINO}-2-(3-CYANO-PHENYL)-ETHANEBORONIC ACID | | Formula: | C23 H27 B N4 O4 | | SMILES: | O=C(NC(B(O)O)Cc1cccc(C#N)c1)C3N(C(=O)C(N)Cc2ccccc2)CCC3 | | InChi: | InChI=1S/C23H27BN4O4/c25-15-18-9-4-8-17(12-18)14-21(24(31)32)27-22(29)20-10-5-11-28(20)23(30)19(26)13-16-6-2-1-3-7-16/h1-4,6-9,12,19-21,31-32H,5,10-11,13-14,26H2,(H,27,29)/t19-,20+,21+/m1/s1 | | Synonyms: | (D)PHE-PRO-BOROPHE(M-CN) | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | D-phenylalanyl-N-[(1R)-2-(3-cyanophenyl)-1-(dihydroxyboranyl)ethyl]-L-prolinamide |
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 | | PVB | | Name: | PURVALANOL B | | Formula: | C20 H25 Cl N6 O3 | | SMILES: | O=C(O)c1ccc(cc1Cl)Nc3nc(nc2c3ncn2C(C)C)NC(C(C)C)CO | | InChi: | InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1 | | Synonyms: | 2-CHLORO-4-{[2-{[(1R)-1-(HYDROXYMETHYL)-2-METHYLPROPYL]AMINO}-9-(1-METHYLETHYL)-9H-PURIN-6-YL]AMINO}BENZOIC ACID | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | 2-chloro-4-{[2-{[(1R)-1-(hydroxymethyl)-2-methylpropyl]amino}-9-(1-methylethyl)-9H-purin-6-yl]amino}benzoic acid |
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 | | DLU | | Name: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide | | Formula: | C20 H19 F2 N3 O5 | | SMILES: | Fc1ccc(c(F)c1)CNC(=O)C4=CN3C(C(=O)N2C(CCOC2C3)C)=C(O)C4=O | | InChi: | InChI=1S/C20H19F2N3O5/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28)/t10-,15+/m1/s1 | | Synonyms: | Dolutegravir | | Definition date: | 2011-05-23 | | Last modified: | 2021-03-01 | | Identifier: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide |
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