 | | 08H | | Name: | 8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine | | Formula: | C17 H13 Cl N4 | | SMILES: | Clc2cc1C(=NCc3nnc(n3c1cc2)C)c4ccccc4 | | InChi: | InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3 | | Synonyms: | ALPRAZOLAM | | Definition date: | 2011-10-13 | | Last modified: | 2020-06-17 | | Identifier: | 8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine |
|
 | | 08J | | Name: | 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine | | Formula: | C18 H13 Cl F N3 | | SMILES: | Fc4ccccc4C2=NCc1cnc(n1c3c2cc(Cl)cc3)C | | InChi: | InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3 | | Synonyms: | Midazolam | | Definition date: | 2011-10-13 | | Last modified: | 2020-06-17 | | Identifier: | 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine |
|
 | | LMA | | Name: | Lankamycin | | Formula: | C43 H74 O15 | | SMILES: | O=C3OC(C(C)C(O)C)C(C)C(OC(=O)C)C(C(=O)C(O)(C)CC(C)C(OC1OC(C)CC(OC)C1C)C(C(OC2OC(C(OC(=O)C)C(OC)(C2)C)C)C3C)C)C | | InChi: | InChI=1S/C43H74O15/c1-20-18-42(13,49)38(47)26(7)36(54-30(11)45)25(6)35(22(3)28(9)44)57-40(48)27(8)37(24(5)34(20)58-41-23(4)32(50-15)17-21(2)52-41)56-33-19-43(14,51-16)39(29(10)53-33)55-31(12)46/h20-29,32-37,39,41,44,49H,17-19H2,1-16H3/t20-,21+,22+,23+,24+,25-,26+,27+,28+,29-,32-,33-,34-,35+,36-,37-,39+,41-,42-,43+/m0/s1 | | Synonyms: | [(2S,3R,4R,6R)-6-[[(1S,2R,3S,4S,6S,8R,9S,10S,11R,14R)-9-acetyloxy-6-hydroxy-11-[(2R,3R)-3-hydroxybutan-2-yl]-3-[(2S,3R,
4S,6R)-4-methoxy-3,6-dimethyl-oxan-2-yl]oxy-2,4,6,8,10,14-hexamethyl-7,13-dioxo-12-oxacyclotetradec-1-yl]oxy]-4-methoxy-
2,4-dimethyl-oxan-3-yl] ethanoate | | Definition date: | 2010-12-15 | | Last modified: | 2020-06-17 | | Identifier: | (2S,3R,4R,6R)-6-{[(3R,4S,5R,6S,7S,9S,11R,12S,13S,14R)-12-(acetyloxy)-9-hydroxy-14-[(2R,3R)-3-hydroxybutan-2-yl]-6-{[(2S,3R,4S,6R)-4-methoxy-3,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-2,10-dioxooxacyclotetradecan-4-yl]oxy}-4-methoxy-2,4-dimethyltetrahydro-2H-pyran-3-yl acetate (non-preferred name) |
|
 | | LMJ | | Name: | (5aS,12aS,13aS)-9-bromo-8-chloro-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 H23 Br Cl N3 O | | SMILES: | C5(C)(C1CC32C(NC1(CN2CCC3)Cc6c4c(cc(c(c4)Cl)Br)nc56)=O)C | | InChi: | InChI=1S/C21H23BrClN3O/c1-19(2)16-9-21-4-3-5-26(21)10-20(16,25-18(21)27)8-12-11-6-14(23)13(22)7-15(11)24-17(12)19/h6-7,16,24H,3-5,8-10H2,1-2H3,(H,25,27)/t16-,20+,21-/m0/s1 | | Synonyms: | isomalbrancheamide D | | Definition date: | 2019-03-04 | | Last modified: | 2020-06-17 | | Release date: | 2019-08-07 | | Identifier: | (5aS,12aS,13aS)-9-bromo-8-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one |
|
 | | LMN | | Name: | Lauryl Maltose Neopentyl Glycol | | Formula: | C47 H88 O22 | | SMILES: | O(CC(CCCCCCCCCC)(CCCCCCCCCC)COC2OC(CO)C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)C4OC(C(OC3OC(CO)C(O)C(O)C3O)C(O)C4O)CO | | InChi: | InChI=1S/C47H88O22/c1-3-5-7-9-11-13-15-17-19-47(20-18-16-14-12-10-8-6-4-2,25-62-43-39(60)35(56)41(29(23-50)66-43)68-45-37(58)33(54)31(52)27(21-48)64-45)26-63-44-40(61)36(57)42(30(24-51)67-44)69-46-38(59)34(55)32(53)28(22-49)65-46/h27-46,48-61H,3-26H2,1-2H3/t27-,28-,29-,30-,31-,32-,33+,34+,35-,36-,37-,38-,39-,40+,41-,42-,43-,44-,45-,46-/m0/s1 | | Synonyms: | 2,2-didecylpropane-1,3-bis-b-D-maltopyranoside | | Definition date: | 2012-09-12 | | Last modified: | 2020-06-17 | | Release date: | 2012-11-30 | | Identifier: | 2-decyl-2-({[4-O-(alpha-L-glucopyranosyl)-beta-L-mannopyranosyl]oxy}methyl)dodecyl 4-O-alpha-L-glucopyranosyl-beta-L-glucopyranoside |
|
 | | 093 | | Name: | N-(5-(4-CHLORO-3-(2-HYDROXY-ETHYLSULFAMOYL)- PHENYLTHIAZOLE-2-YL)-ACETAMIDE | | Formula: | C14 H16 Cl N3 O4 S2 | | SMILES: | O=C(N=C1/SC(=C(N1)C)c2ccc(Cl)c(c2)S(=O)(=O)NCCO)C | | InChi: | InChI=1S/C14H16ClN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20) | | Synonyms: | PIK-93 | | Definition date: | 2006-03-16 | | Last modified: | 2020-06-17 | | Identifier: | N-[(2Z)-5-{4-chloro-3-[(2-hydroxyethyl)sulfamoyl]phenyl}-4-methyl-1,3-thiazol-2(3H)-ylidene]acetamide |
|
 | | 09C | | Name: | (3S,5R)-3,5-bis(6-bromo-1H-indol-3-yl)piperazin-2-one | | Formula: | C20 H16 Br2 N4 O | | SMILES: | Brc1cc2c(cc1)c(cn2)C5C(=O)NCC(c3cnc4cc(Br)ccc34)N5 | | InChi: | InChI=1S/C20H16Br2N4O/c21-10-1-3-12-14(7-23-16(12)5-10)18-9-25-20(27)19(26-18)15-8-24-17-6-11(22)2-4-13(15)17/h1-8,18-19,23-24,26H,9H2,(H,25,27)/t18-,19-/m0/s1 | | Synonyms: | cis-3,4-dihydrohamacanthin B | | Definition date: | 2011-07-26 | | Last modified: | 2020-06-17 | | Identifier: | (3S,5R)-3,5-bis(6-bromo-1H-indol-3-yl)piperazin-2-one |
|
 | | LN0 | | Name: | methyl 6,8-dideoxy-6-{[(4R)-1-methyl-4-propyl-L-prolyl]amino}-1-thio-D-glycero-alpha-D-galacto-octopyranosid-7-ulose | | Formula: | C18 H32 N2 O6 S | | SMILES: | O=C(C)C(NC(=O)C1N(C)CC(CCC)C1)C2OC(SC)C(O)C(O)C2O | | InChi: | InChI=1S/C18H32N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h10-16,18,22-24H,5-8H2,1-4H3,(H,19,25)/t10-,11+,12-,13+,14-,15-,16-,18-/m1/s1 | | Synonyms: | lincomycin, oxidized form | | Definition date: | 2012-03-29 | | Last modified: | 2020-06-17 | | Identifier: | methyl 6,8-dideoxy-6-{[(4R)-1-methyl-4-propyl-L-prolyl]amino}-1-thio-D-glycero-alpha-D-galacto-octopyranosid-7-ulose |
|
 | | LNC | | Name: | (3S)-5-(3-CARBOXY-3-HYDROXYPROPYL) NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Formula: | C25 H33 N7 O17 P2 | | SMILES: | NC(=O)c1cc(CC[CH](O)C(O)=O)c[n+](c1)[CH]2O[CH](CO[P](O)(=O)O[P]([O-])(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O | | InChi: | InChI=1S/C25H33N7O17P2/c26-20-15-22(29-8-28-20)32(9-30-15)24-19(37)17(35)14(48-24)7-46-51(43,44)49-50(41,42)45-6-13-16(34)18(36)23(47-13)31-4-10(1-2-12(33)25(39)40)3-11(5-31)21(27)38/h3-5,8-9,12-14,16-19,23-24,33-37H,1-2,6-7H2,(H6-,26,27,28,29,38,39,40,41,42,43,44)/t12-,13+,14+,16+,17+,18+,19+,23+,24+/m0/s1 | | Synonyms: | S-LAC-NAD+ | | Definition date: | 2003-04-25 | | Last modified: | 2020-06-17 | | Identifier: | [[(2R,3S,4R,5R)-5-[3-aminocarbonyl-5-[(3S)-3,4-dihydroxy-4-oxo-butyl]pyridin-1-ium-1-yl]-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphate |
|
 | | LO4 | | Name: | Ciglitazone | | Formula: | C18 H23 N O3 S | | SMILES: | c2(OCC1(C)CCCCC1)ccc(cc2)CC=3C(NC(=O)S=3)=O | | InChi: | InChI=1S/C18H23NO3S/c1-18(9-3-2-4-10-18)12-22-14-7-5-13(6-8-14)11-15-16(20)19-17(21)23-15/h5-8,23H,2-4,9-12H2,1H3,(H,19,20,21) | | Synonyms: | 5-({4-[(1-methylcyclohexyl)methoxy]phenyl}methyl)-2H-1lambda~4~,3-thiazole-2,4(3H)-dione | | Definition date: | 2019-03-06 | | Last modified: | 2020-06-17 | | Release date: | 2019-11-06 | | Identifier: | 5-({4-[(1-methylcyclohexyl)methoxy]phenyl}methyl)-2H-1lambda~4~,3-thiazole-2,4(3H)-dione |
|
 | | LOB | | Name: | LOBELINE | | Formula: | C22 H27 N O2 | | SMILES: | O=C(c1ccccc1)CC3N(C)C(CC(O)c2ccccc2)CCC3 | | InChi: | InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3/t19-,20+,21-/m1/s1 | | Synonyms: | 2-{(2S,6R)-6-[(2R)-2-HYDROXY-2-PHENYLETHYL]-1-METHYLPIPERIDIN-2-YL}-1-PHENYLETHANONE | | Definition date: | 2005-08-04 | | Last modified: | 2020-06-17 | | Identifier: | 2-{(2S,6R)-6-[(2R)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl}-1-phenylethanone |
|
 | | 0AS | | Name: | asiatic acid | | Formula: | C30 H48 O5 | | SMILES: | O=C(O)C54C(C3=CCC1C(CCC2C1(C)CC(O)C(O)C2(C)CO)(C)C3(C)CC4)C(C)C(C)CC5 | | InChi: | InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24+,26+,27+,28-,29-,30+/m1/s1 | | Synonyms: | (2alpha,3beta,5beta,20beta)-2,3,23-trihydroxyurs-12-en-28-oic acid | | Definition date: | 2007-08-06 | | Last modified: | 2020-06-17 | | Identifier: | (2alpha,3beta,5beta,20beta)-2,3,23-trihydroxyurs-12-en-28-oic acid |
|
 | | 0BD | | Name: | 3-methyl-1-(2-methylpropyl)butyl 4-O-beta-L-gulopyranosyl-beta-D-glucopyranoside | | Formula: | C21 H40 O11 | | SMILES: | CC(C)CC(CC(C)C)O[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O | | InChi: | InChI=1S/C21H40O11/c1-9(2)5-11(6-10(3)4)29-20-18(28)16(26)19(13(8-23)31-20)32-21-17(27)15(25)14(24)12(7-22)30-21/h9-28H,5-8H2,1-4H3/t12-,13+,14+,15-,16+,17-,18+,19+,20+,21+/m0/s1 | | Synonyms: | 2,6-dimethyl-4-heptyl 4-O-methyl-beta-D-glucopyranoside | | Definition date: | 2009-01-20 | | Last modified: | 2020-06-17 | | Identifier: | (2R,3S,4S,5S,6S)-2-[(2R,3S,4R,5R,6R)-6-(2,6-dimethylheptan-4-yloxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
|
 | | 0BI | | Name: | (4S)-4-[(1R)-1-hydroxy-2-({1-[3-(1-methylethyl)phenyl]cyclopropyl}amino)ethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatric
yclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one | | Formula: | C35 H45 N3 O4 | | SMILES: | COCc1cc2NCCCCOc3cccc(C[CH](NC(=O)c(c1)c2)[CH](O)CNC4(CC4)c5cccc(c5)C(C)C)c3 | | InChi: | InChI=1S/C35H45N3O4/c1-24(2)27-9-7-10-29(20-27)35(12-13-35)37-22-33(39)32-19-25-8-6-11-31(18-25)42-15-5-4-14-36-30-17-26(23-41-3)16-28(21-30)34(40)38-32/h6-11,16-18,20-21,24,32-33,36-37,39H,4-5,12-15,19,22-23H2,1-3H3,(H,38,40)/t32-,33+/m0/s1 | | Synonyms: | (S)-4-{(R)-1-Hydroxy-2-[1-(3-isopropyl-phenyl)-cyclopropylamino]-ethyl}-19-methoxymethyl-11-oxa
3,16-diaza-tricyclo[15.3.1.1*6,10*]docosa-1(21),6,8,10(22),17 ,19-hexaen-2-one | | Definition date: | 2009-11-18 | | Last modified: | 2020-06-17 |
|
 | | LPE | | Name: | 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE | | Formula: | C26 H57 N O6 P | | SMILES: | O=P(OCC(O)COCCCCCCCCCCCCCCCCCC)(OCC[N+](C)(C)C)O | | InChi: | InChI=1S/C26H56NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-26(28)25-33-34(29,30)32-23-21-27(2,3)4/h26,28H,5-25H2,1-4H3/p+1/t26-/m1/s1 | | Synonyms: | LPC-ETHER | | Definition date: | 2002-03-29 | | Last modified: | 2020-06-17 | | Identifier: | (4S,7R)-4,7-dihydroxy-N,N,N-trimethyl-3,5,9-trioxa-4-phosphaheptacosan-1-aminium 4-oxide |
|
 | | 0BU | | Name: | 8-({3-[({3-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl}carbamoyl)amino]benzoyl}amino)naphthalene-1,3,5-trisulfonic
acid | | Formula: | C35 H26 N4 O21 S6 | | SMILES: | O=S(=O)(O)c1c2c(cc(c1)S(=O)(=O)O)c(ccc2NC(=O)c3cc(ccc3)NC(=O)Nc4cccc(c4)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | | InChi: | InChI=1S/C35H26N4O21S6/c40-33(38-25-7-9-27(63(49,50)51)23-13-21(61(43,44)45)15-29(31(23)25)65(55,56)57)17-3-1-5-19(11-17)36-35(42)37-20-6-2-4-18(12-20)34(41)39-26-8-10-28(64(52,53)54)24-14-22(62(46,47)48)16-30(32(24)26)66(58,59)60/h1-16H,(H,38,40)(H,39,41)(H2,36,37,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60) | | Synonyms: | NF023 | | Definition date: | 2011-11-23 | | Last modified: | 2020-06-17 | | Identifier: | 8-({3-[({3-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl}carbamoyl)amino]benzoyl}amino)naphthalene-1,3,5-trisulfonic acid |
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 | | LPP | | Name: | 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE | | Formula: | C35 H69 O8 P | | SMILES: | O=P(O)(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)O | | InChi: | InChI=1S/C35H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3,(H2,38,39,40)/t33-/m1/s1 | | Synonyms: | 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE | | Definition date: | 2000-12-14 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-3-(phosphonooxy)propane-1,2-diyl dihexadecanoate |
|
 | | LPR | | Name: | [N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-L-LYSYL-L-PROLINE | | Formula: | C21 H31 N3 O5 | | SMILES: | O=C(O)C2N(C(=O)C(NC(C(=O)O)CCc1ccccc1)CCCCN)CCC2 | | InChi: | InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1 | | Synonyms: | LISINOPRIL | | Definition date: | 2002-11-25 | | Last modified: | 2020-06-17 | | Identifier: | N~2~-[(1S)-1-carboxy-3-phenylpropyl]-L-lysyl-L-proline |
|
 | | 0CR | | Name: | MoMo-2-[4-(2-(4-(methoxy)-1H-1,2,3-triazol-1-yl)ethyl)benzenesulfonamide]-7,12-bis-[3-(4-(methoxy)-1H-1,2,3-triazol-1-y
l)propanoic acid]-cryptophane-A | | Formula: | C74 H74 N10 O18 S | | SMILES: | O=C(O)CCn1nnc(c1)COc%14cc%13c%12cc%14OCCOc2c(OC)cc6c(c2)Cc7cc(OC)c8OCCOc4cc(c(cc4OCc3nnn(c3)CCC(=O)O)Cc%11cc(OCCOc5c(OC)cc(c(c5)C6)Cc7c8)c(OCc9nnn(c9)CCc%10ccc(cc%10)S(=O)(=O)N)cc%11C%12)C%13 | | InChi: | InChI=1S/C74H74N10O18S/c1-91-61-26-45-21-49-30-66-63(93-3)28-47(49)22-50-31-65-62(92-2)27-46(50)20-48(45)29-64(61)94-14-17-97-67-32-51-24-55-36-71(101-42-58-39-83(80-77-58)12-9-73(85)86)69(99-19-16-96-66)34-53(55)25-56-37-72(102-43-59-40-84(81-78-59)13-10-74(87)88)68(98-18-15-95-65)33-52(56)23-54(51)35-70(67)100-41-57-38-82(79-76-57)11-8-44-4-6-60(7-5-44)103(75,89)90/h4-7,26-40H,8-25,41-43H2,1-3H3,(H,85,86)(H,87,88)(H2,75,89,90) | | Synonyms: | 3,3'-{[14,21,28-trimethoxy-42-({1-[2-(4-sulfamoylphenyl)ethyl]-1H-1,2,3-triazol-4-yl}methoxy)-9,12,30,33,43,46-hexaoxad
ecacyclo[20.20.4.3~8,37~.3~16,29~.1~13,17~.1~34,38~.0~3,40~.0~5,49~.0~19,24~.0~26,52~]tetrapentaconta-1(42),2,5,7,13(54)
,14,16,19,21,23,26,28,34(47),35,37,40,49,51-octadecaene-7,35-diyl]bis(oxymethanediyl-1H-1,2,3-triazole-4,1-diyl)}dipropa
noic acid | | Definition date: | 2008-04-28 | | Last modified: | 2020-06-17 | | Identifier: | 3,3'-{[14,21,28-trimethoxy-42-({1-[2-(4-sulfamoylphenyl)ethyl]-1H-1,2,3-triazol-4-yl}methoxy)-9,12,30,33,43,46-hexaoxadecacyclo[20.20.4.3~8,37~.3~16,29~.1~13,17~.1~34,38~.0~3,40~.0~5,49~.0~19,24~.0~26,52~]tetrapentaconta-1(42),2,5,7,13(54),14,16,19,21,23,26,28,34(47),35,37,40,49,51-octadecaene-7,35-diyl]bis(oxymethanediyl-1H-1,2,3-triazole-4,1-diyl)}dipropanoic acid (non-preferred name) |
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 | | LQT | | Name: | 2-[[[2-[2-(dimethylamino)ethyl-ethyl-amino]-2-oxidanylidene-ethyl]amino]methyl]pyridine-4-carboxamide | | Formula: | C15 H25 N5 O2 | | SMILES: | CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O | | InChi: | InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22) | | Synonyms: | KDOAM25A | | Definition date: | 2015-06-02 | | Last modified: | 2020-06-17 | | Release date: | 2015-07-07 | | Identifier: | 2-[[[2-[2-(dimethylamino)ethyl-ethyl-amino]-2-oxidanylidene-ethyl]amino]methyl]pyridine-4-carboxamide |
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 | | 0DV | | Name: | (4R,5R,6R,6aS,9S,9aE,10aR)-5-hydroxy-9-(hydroxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrod
icyclopenta[a,d][8]annulen-4-yl alpha-D-gulopyranoside | | Formula: | C26 H42 O8 | | SMILES: | O(C3C1=C(C(C)C)CCC1(C=C2C(CO)CCC2C(C3O)C)C)C4OC(C(O)C(O)C4O)CO | | InChi: | InChI=1S/C26H42O8/c1-12(2)15-7-8-26(4)9-17-14(10-27)5-6-16(17)13(3)20(29)24(19(15)26)34-25-23(32)22(31)21(30)18(11-28)33-25/h9,12-14,16,18,20-25,27-32H,5-8,10-11H2,1-4H3/b17-9-/t13-,14-,16+,18-,20-,21+,22-,23-,24-,25-,26-/m1/s1 | | Synonyms: | Fusicoccin H | | Definition date: | 2011-12-17 | | Last modified: | 2020-06-17 | | Release date: | 2012-12-28 | | Identifier: | (4R,5R,6R,6aS,9S,9aE,10aR)-5-hydroxy-9-(hydroxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl alpha-D-gulopyranoside |
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 | | 0DY | | Name: | N~1~-(3-aminobenzyl)-N~2~-[(2R)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-L-aspartamide | | Formula: | C18 H27 N5 O5 | | SMILES: | O=C(NO)C(C(=O)NC(C(=O)NCc1cc(N)ccc1)CC(=O)N)CC(C)C | | InChi: | InChI=1S/C18H27N5O5/c1-10(2)6-13(17(26)23-28)16(25)22-14(8-15(20)24)18(27)21-9-11-4-3-5-12(19)7-11/h3-5,7,10,13-14,28H,6,8-9,19H2,1-2H3,(H2,20,24)(H,21,27)(H,22,25)(H,23,26)/t13-,14-/m0/s1 | | Synonyms: | HONH-iBM-Asn-NHBn(m-NH2) | | Definition date: | 2008-11-07 | | Last modified: | 2020-06-17 | | Identifier: | N~1~-(3-aminobenzyl)-N~2~-[(2R)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-L-aspartamide |
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 | | 0E7 | | Name: | methyl N-(4-carbamimidamidobutanoyl)-L-phenylalanyl-L-allothreonyl-L-phenylalaninate | | Formula: | C28 H38 N6 O6 | | SMILES: | O=C(NC(C(=O)NC(C(=O)NC(C(=O)OC)Cc1ccccc1)C(O)C)Cc2ccccc2)CCCNC(=[N@H])N | | InChi: | InChI=1S/C28H38N6O6/c1-18(35)24(26(38)33-22(27(39)40-2)17-20-12-7-4-8-13-20)34-25(37)21(16-19-10-5-3-6-11-19)32-23(36)14-9-15-31-28(29)30/h3-8,10-13,18,21-22,24,35H,9,14-17H2,1-2H3,(H,32,36)(H,33,38)(H,34,37)(H4,29,30,31)/t18-,21-,22-,24-/m0/s1 | | Synonyms: | BMS-183507 | | Definition date: | 2008-09-14 | | Last modified: | 2020-06-17 | | Identifier: | methyl N-(4-carbamimidamidobutanoyl)-L-phenylalanyl-L-allothreonyl-L-phenylalaninate |
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 | | 0E8 | | Name: | di-tert-butyl {iminobis[(2S,3S)-3-hydroxy-1-phenylbutane-4,2-diyl]}biscarbamate | | Formula: | C30 H45 N3 O6 | | SMILES: | O=C(OC(C)(C)C)NC(Cc1ccccc1)C(O)CNCC(O)C(NC(=O)OC(C)(C)C)Cc2ccccc2 | | InChi: | InChI=1S/C30H45N3O6/c1-29(2,3)38-27(36)32-23(17-21-13-9-7-10-14-21)25(34)19-31-20-26(35)24(18-22-15-11-8-12-16-22)33-28(37)39-30(4,5)6/h7-16,23-26,31,34-35H,17-20H2,1-6H3,(H,32,36)(H,33,37)/t23-,24-,25+,26+/m0/s1 | | Synonyms: | BMS-182193 | | Definition date: | 2008-11-06 | | Last modified: | 2020-06-17 | | Identifier: | di-tert-butyl {iminobis[(2S,3R)-3-hydroxy-1-phenylbutane-4,2-diyl]}biscarbamate |
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 | | 0EO | | Name: | (2S)-2-[[(3S,4S)-5-cyclohexyl-4-[[(4S,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanyl-6-phenyl-hexanoyl]amino]
-3-oxidanyl-pentanoyl]amino]-4-methyl-pentanoic acid | | Formula: | C34 H55 N3 O8 | | SMILES: | O=C(O)C(NC(=O)CC(O)C(NC(=O)CCC(O)C(NC(=O)OC(C)(C)C)Cc1ccccc1)CC2CCCCC2)CC(C)C | | InChi: | InChI=1S/C34H55N3O8/c1-22(2)18-27(32(42)43)36-31(41)21-29(39)26(20-24-14-10-7-11-15-24)35-30(40)17-16-28(38)25(19-23-12-8-6-9-13-23)37-33(44)45-34(3,4)5/h6,8-9,12-13,22,24-29,38-39H,7,10-11,14-21H2,1-5H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43)/t25-,26-,27-,28-,29-/m0/s1 | | Synonyms: | PD125754 | | Definition date: | 2008-09-14 | | Last modified: | 2020-06-17 | | Identifier: | (6S,7S,12S,13S,17S)-6-benzyl-12-(cyclohexylmethyl)-7,13-dihydroxy-2,2-dimethyl-17-(2-methylpropyl)-4,10,15-trioxo-3-oxa-5,11,16-triazaoctadecan-18-oic acid (non-preferred name) |
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