 | | 0JM | | Name: | (2S,5R,6R,7R)-6-{[(2R)-2-carboxy-2-phenylacetyl]amino}-7-hydroxy-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carbo
xylic acid | | Formula: | C17 H20 N2 O6 S | | SMILES: | O=C(O)C(c1ccccc1)C(=O)NC3C(O)N2C(C(=O)O)C(SC23)(C)C | | InChi: | InChI=1S/C17H20N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,13-14,21H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/t9-,10-,11+,13-,14-/m1/s1 | | Synonyms: | Carbenicillin | | Definition date: | 2012-08-13 | | Last modified: | 2020-06-17 | | Release date: | 2012-12-14 | | Identifier: | (2S,5R,6R,7R)-6-{[(2R)-2-carboxy-2-phenylacetyl]amino}-7-hydroxy-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
|
 | | RLT | | Name: | N-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-(1-methyl-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}ethyl)-6-oxo-1,6-di
hydropyrimidine-4-carboxamide | | Formula: | C20 H21 F N6 O5 | | SMILES: | CN1C(=O)C(=C(N=C1C(C)(C)NC(=O)c2oc(C)nn2)C(=O)NCc3ccc(F)cc3)O | | InChi: | InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30) | | Synonyms: | RALTEGRAVIR, MK0518 | | Definition date: | 2009-12-28 | | Last modified: | 2020-06-17 | | Identifier: | N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxo-pyrimidin-2-yl]propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide |
|
 | | OSB | | Name: | 2-SUCCINYLBENZOATE | | Formula: | C11 H10 O5 | | SMILES: | O=C(O)c1ccccc1C(=O)CCC(=O)O | | InChi: | InChI=1S/C11H10O5/c12-9(5-6-10(13)14)7-3-1-2-4-8(7)11(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16) | | Synonyms: | O-SUCCINYLBENZOATE | | Definition date: | 2000-08-11 | | Last modified: | 2020-06-17 | | Identifier: | 2-(3-carboxypropanoyl)benzoic acid |
|
 | | N38 | | Name: | 3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[3-(4-methoxyphenoxy)propyl]sulfonyl}-L-
alaninamide | | Formula: | C26 H41 N3 O7 S | | SMILES: | COc3ccc(OCCCS(NC(CC1CCCCC1)C(NC(CO)CC2CCNC2=O)=O)(=O)=O)cc3 | | InChi: | InChI=1S/C26H41N3O7S/c1-35-22-8-10-23(11-9-22)36-14-5-15-37(33,34)29-24(16-19-6-3-2-4-7-19)26(32)28-21(18-30)17-20-12-13-27-25(20)31/h8-11,19-21,24,29-30H,2-7,12-18H2,1H3,(H,27,31)(H,28,32)/t20-,21-,24-/m0/s1 | | Synonyms: | 3-cyclohexyl-N~2~-{[3-(4-methoxyphenoxy)propyl]sulfonyl}-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alan
inamide (bound form) | | Definition date: | 2016-09-12 | | Last modified: | 2020-06-17 | | Release date: | 2016-11-23 | | Identifier: | 3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[3-(4-methoxyphenoxy)propyl]sulfonyl}-L-alaninamide |
|
 | | N3A | | Name: | 2,4-dihydroxy-3-({3-[(2R,4aR,8S,8aR,9R)-9-hydroxy-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonap
hthalen-8-yl]propanoyl}amino)benzoic acid | | Formula: | C24 H27 N O7 | | SMILES: | O=C(O)c1c(O)c(c(O)cc1)NC(=O)CCC4(C(=O)C=CC32C/C(=C)C(CC2O)CC34)C | | InChi: | InChI=1S/C24H27NO7/c1-12-11-24-8-5-17(27)23(2,16(24)9-13(12)10-18(24)28)7-6-19(29)25-20-15(26)4-3-14(21(20)30)22(31)32/h3-5,8,13,16,18,26,28,30H,1,6-7,9-11H2,2H3,(H,25,29)(H,31,32)/t13-,16+,18-,23+,24+/m1/s1 | | Synonyms: | Platencin A1 | | Definition date: | 2009-06-03 | | Last modified: | 2020-06-17 | | Identifier: | 2,4-dihydroxy-3-({3-[(2R,4aR,8S,8aR,9R)-9-hydroxy-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid |
|
 | | RMB | | Name: | N1-(5'-PHOSPHO-ALPHA-RIBOSYL)-5-METHYLBENZIMIDAZOLE | | Formula: | C13 H17 N2 O7 P | | SMILES: | O=P(O)(O)OCC3OC(n2cnc1cc(ccc12)C)C(O)C3O | | InChi: | InChI=1S/C13H17N2O7P/c1-7-2-3-9-8(4-7)14-6-15(9)13-12(17)11(16)10(22-13)5-21-23(18,19)20/h2-4,6,10-13,16-17H,5H2,1H3,(H2,18,19,20)/t10-,11-,12-,13+/m1/s1 | | Synonyms: | MONO-[3,4-DIHYDROXY-5-(5-METHYL-BENZOIMIDAZOL-1-YL)-TETRAHYDOR-FURAN-2-YLMETHYL] ESTER | | Definition date: | 2001-07-09 | | Last modified: | 2020-06-17 | | Identifier: | 5-methyl-1-(5-O-phosphono-alpha-D-ribofuranosyl)-1H-benzimidazole |
|
 | | SFA | | Name: | SANGLIFEHRIN A | | Formula: | C60 H91 N5 O13 | | SMILES: | O=C3N5NC(C(=O)OC(C(=CC=CCCC(C)C(O)CC2OC1(NC(=O)C(CC1C)CC)C(C)C(O)C2C)C)CC=CC=CC(O)C(C)C(O)C(C(=O)NC(C(=O)NC3Cc4cccc(O)c4)C(C)C)CCC(=O)C)CCC5 | | InChi: | InChI=1S/C60H91N5O13/c1-11-43-30-37(6)60(63-55(43)72)41(10)53(70)40(9)51(78-60)33-49(69)35(4)20-14-12-15-21-36(5)50-26-17-13-16-25-48(68)39(8)54(71)45(28-27-38(7)66)56(73)62-52(34(2)3)57(74)61-47(32-42-22-18-23-44(67)31-42)58(75)65-29-19-24-46(64-65)59(76)77-50/h12-13,15-18,21-23,25,31,34-35,37,39-41,43,45-54,64,67-71H,11,14,19-20,24,26-30,32-33H2,1-10H3,(H,61,74)(H,62,73)(H,63,72)/b15-12+,17-13+,25-16+,36-21+/t35-,37-,39-,40-,41-,43-,45+,46-,47-,48-,49-,50-,51-,52-,53-,54+,60+/m0/s1 | | Synonyms: | (3S,6S,9R,10R,11S,12S,13E,15E,18S,21S)-18-{(1E,3E,7S,8S)-9-[(2S,3R,4S,5S,6R,9S,11S)-9-ETHYL-4-HYDROXY-3,5,11-TRIMETHYL-
8-OXO-1-OXA-7-AZASPIRO[5.5]UNDEC-2-YL]-8-HYDROXY-1,7-DIMETHYLNONA-1,3-DIENYL}-10,12-DIHYDROXY-3-(3-HYDROXYBENZYL)-6-ISOP
ROPYL-11-METHYL-9-(3-OXOBUTYL)-19-OXA-1,4,7,25-TETRAAZABICYCLO[19.3.1]PENTACOSA-13,15-DIENE-2,5,8,20-TETRONE | | Definition date: | 2005-02-03 | | Last modified: | 2020-06-17 | | Identifier: | (3S,6S,9R,10R,11S,12S,13E,15E,18S,21S)-18-{(1E,3E,7S,8S)-9-[(2S,3R,4S,5S,6R,9S,11S)-9-ethyl-4-hydroxy-3,5,11-trimethyl-8-oxo-1-oxa-7-azaspiro[5.5]undec-2-yl]-8-hydroxy-1,7-dimethylnona-1,3-dien-1-yl}-10,12-dihydroxy-3-(3-hydroxybenzyl)-11-methyl-6-(1-methylethyl)-9-(3-oxobutyl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone |
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 | | SFE | | Name: | (3S)-3-amino-3-phenylpropanoic acid | | Formula: | C9 H11 N O2 | | SMILES: | O=C(O)CC(N)c1ccccc1 | | InChi: | InChI=1S/C9H11NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 | | Synonyms: | S-BETA-PHENYLALANINE | | Definition date: | 2011-05-30 | | Last modified: | 2020-06-17 | | Identifier: | (3S)-3-amino-3-phenylpropanoic acid |
|
 | | R9A | | Name: | RUTHENIUM WIRE, 9 CARBON LINKER | | Formula: | C49 H69 N7 O Ru | | SMILES: | O(c1cccc(N(C)C)c1)CCCCCCCCCC4=C3C=CC2=CC=CN8C2=C3N(C=C4)[Ru]86%11(N7C(C5N6CCCC5)CCCC7)N9CCC=CC9C%10N%11CCCC%10 | | InChi: | InChI=1S/C29H35N3O.C10H18N2.C10H16N2.Ru/c1-32(2)25-14-10-15-26(22-25)33-21-9-7-5-3-4-6-8-12-23-18-20-31-29-27(23)17-16-24-13-11-19-30-28(24)29 | | Synonyms: | BIS[1H,1'H-2,2'-BIPYRIDINATO(2-)-KAPPA~2~N~1~,N~1'~][3-{[9-(1,10-DIHYDRO-1,10-PHENANTHROLIN-4-YL-KAPPA~2~N~1~,N~10~)NON
YL]OXY}-N,N-DIMETHYLANILINATO(2-)]RUTHENIUM | | Definition date: | 2006-02-27 | | Last modified: | 2020-06-17 | | Identifier: | [(2R,2'R)-2,2'-bipiperidinato(2-)-kappa~2~N~1~,N~1'~][3-{[9-(1,10-dihydro-1,10-phenanthrolin-4-yl-kappa~2~N~1~,N~10~)nonyl]oxy}-N,N-dimethylanilinato(2-)][(6S)-6-[(2R)-piperidin-2-yl-kappaN]-1,2,3,6-tetrahydropyridinato(2-)-kappaN]ruthenium |
|
 | | 840 | | Name: | Platensimycin A1 | | Formula: | C24 H25 N O8 | | SMILES: | O=C(O)c1c(O)c(c(O)cc1)NC(=O)CCC5(C(=O)C=CC43CC26C(OC2(C3O)C)(C45)C6)C | | InChi: | InChI=1S/C24H25NO8/c1-20(7-6-14(28)25-15-12(26)4-3-11(16(15)29)17(30)31)13(27)5-8-22-9-23-10-24(23,18(20)22)33-21(23,2)19(22)32/h3-5,8,18-19,26,29,32H,6-7,9-10H2,1-2H3,(H,25,28)(H,30,31)/t18-,19+,20-,21+,22-,23+,24-/m1/s1 | | Synonyms: | 2,4-dihydroxy-3-({3-[(1aR,2R,3R,3aS,7S,7aS,7bR)-3-hydroxy-2,7-dimethyl-6-oxo-2,3,7,7a-tetrahydro-6H-2,7b-epoxy-1a,3a-me
thanocyclopropa[a]naphthalen-7(1H)-yl]propanoyl}amino)benzoic acid | | Definition date: | 2009-07-10 | | Last modified: | 2020-06-17 | | Identifier: | 2,4-dihydroxy-3-({3-[(1aR,2R,3R,3aS,7S,7aS,7bR)-3-hydroxy-2,7-dimethyl-6-oxo-2,3,7,7a-tetrahydro-6H-2,7b-epoxy-1a,3a-methanocyclopropa[a]naphthalen-7(1H)-yl]propanoyl}amino)benzoic acid |
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 | | SFX | | Name: | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine | | Formula: | C17 H18 F3 N O | | SMILES: | FC(F)(F)c2ccc(OC(c1ccccc1)CCNC)cc2 | | InChi: | InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/t16-/m0/s1 | | Synonyms: | Fluoxetine | | Definition date: | 2009-04-03 | | Last modified: | 2020-06-17 | | Identifier: | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine |
|
 | | QFJ | | Name: | propionylthiocholine | | Formula: | C8 H18 N O S | | SMILES: | C[N+](C)(C)CCSC(CC)=O | | InChi: | InChI=1S/C8H18NOS/c1-5-8(10)11-7-6-9(2,3)4/h5-7H2,1-4H3/q+1 | | Synonyms: | N,N,N-trimethyl-2-(propanoylsulfanyl)ethan-1-aminium | | Definition date: | 2019-10-22 | | Last modified: | 2020-06-17 | | Release date: | 2020-05-13 | | Identifier: | N,N,N-trimethyl-2-(propanoylsulfanyl)ethan-1-aminium |
|
 | | 846 | | Name: | [4R--(1ALPHA,5ALPHA,7BETA)]-3-[(CYCLOPROPHYLMETHYL)HEXAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPIN]
METHYL-2-THIAZOLYLBENZAMIDE | | Formula: | C34 H36 N4 O4 S | | SMILES: | O=C(c1cccc(c1)CN4C(=O)N(CC2CC2)C(Cc3ccccc3)C(O)C(O)C4Cc5ccccc5)Nc6nccs6 | | InChi: | InChI=1S/C34H36N4O4S/c39-30-28(19-23-8-3-1-4-9-23)37(21-25-14-15-25)34(42)38(29(31(30)40)20-24-10-5-2-6-11-24)22-26-12-7-13-27(18-26)32(41)36-33-35-16-17-43-33/h1-13,16-18,25,28-31,39-40H,14-15,19-22H2,(H,35,36,41)/t28-,29-,30+,31+/m1/s1 | | Synonyms: | INHIBITOR Q8467 OF DUPONT MERCK | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 3-{[(4R,5S,6S,7R)-4,7-dibenzyl-3-(cyclopropylmethyl)-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl}-N-1,3-thiazol-2-ylbenzamide |
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 | | 0LA | | Name: | (2S)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid | | Formula: | C15 H12 Cl N O2 | | SMILES: | O=C(O)C(c3ccc2c1cc(Cl)ccc1nc2c3)C | | InChi: | InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)/t8-/m0/s1 | | Synonyms: | (S)-carprofen | | Definition date: | 2012-02-13 | | Last modified: | 2020-06-17 | | Release date: | 2013-01-18 | | Identifier: | (2S)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid |
|
 | | QUS | | Name: | (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID | | Formula: | C5 H7 N3 O5 | | SMILES: | O=C1NC(=O)ON1CC(N)C(=O)O | | InChi: | InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1 | | Synonyms: | QUISQUALATE | | Definition date: | 2002-09-05 | | Last modified: | 2020-06-17 | | Identifier: | 3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)-L-alanine |
|
 | | RNR | | Name: | 3,6-bis(3-(3'-(R)-fluoropyrrolindino)propionamido)acridine | | Formula: | C27 H31 F2 N5 O2 | | SMILES: | O=C(Nc4cc3nc2cc(NC(=O)CCN1CCC(F)C1)ccc2cc3cc4)CCN5CCC(F)C5 | | InChi: | InChI=1S/C27H31F2N5O2/c28-20-5-9-33(16-20)11-7-26(35)30-22-3-1-18-13-19-2-4-23(15-25(19)32-24(18)14-22)31-27(36)8-12-34-10-6-21(29)17-34/h1-4,13-15,20-21H,5-12,16-17H2,(H,30,35)(H,31,36)/t20-,21-/m1/s1 | | Synonyms: | N,N'-acridine-3,6-diylbis{3-[(3R)-3-fluoropyrrolidin-1-yl]propanamide} | | Definition date: | 2010-07-27 | | Last modified: | 2020-06-17 | | Identifier: | N,N'-acridine-3,6-diylbis{3-[(3R)-3-fluoropyrrolidin-1-yl]propanamide} |
|
 | | 853 | | Name: | 5-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-CARBOXYMETHYL-BENZOIC ACID | | Formula: | C33 H35 N3 O7 | | SMILES: | O=C(O)c1cc(ccc1CC(=O)O)CC(NC(=O)C)C(=O)NC4C(=O)N(Cc3ccc(c2ccccc2)cc3)CCCC4 | | InChi: | InChI=1S/C33H35N3O7/c1-21(37)34-29(18-23-12-15-26(19-30(38)39)27(17-23)33(42)43)31(40)35-28-9-5-6-16-36(32(28)41)20-22-10-13-25(14-11-22)24-7-3-2-4-8-24/h2-4,7-8,10-15,17,28-29H,5-6,9,16,18-20H2,1H3,(H,34,37)(H,35,40)(H,38,39)(H,42,43)/t28-,29-/m0/s1 | | Synonyms: | RU85053 | | Definition date: | 2003-06-20 | | Last modified: | 2020-06-17 | | Identifier: | 5-[(2S)-2-(acetylamino)-3-{[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]amino}-3-oxopropyl]-2-(carboxymethyl)benzoic acid |
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 | | KPL | | Name: | KETOPANTOATE | | Formula: | C6 H10 O4 | | SMILES: | O=C(O)C(=O)C(C)(C)CO | | InChi: | InChI=1S/C6H10O4/c1-6(2,3-7)4(8)5(9)10/h7H,3H2,1-2H3,(H,9,10) | | Synonyms: | 2-DEHYDROPANTOATE | | Definition date: | 2002-07-15 | | Last modified: | 2020-06-17 | | Identifier: | 4-hydroxy-3,3-dimethyl-2-oxobutanoic acid |
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 | | ROA | | Name: | (2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid | | Formula: | C18 H16 O8 | | SMILES: | O=C(O)C(OC(=O)C=Cc1ccc(O)c(O)c1)Cc2cc(O)c(O)cc2 | | InChi: | InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 | | Synonyms: | Rosmarinic acid | | Definition date: | 2011-09-02 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid |
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 | | 85F | | Name: | (2R)-2-azanyl-3-[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-propanoic acid | | Formula: | C6 H12 N2 O4 S | | SMILES: | N[CH](CSC[CH](N)C(O)=O)C(O)=O | | InChi: | InChI=1S/C6H12N2O4S/c7-3(5(9)10)1-13-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1 | | Synonyms: | L-Lanthionine | | Definition date: | 2017-04-20 | | Last modified: | 2020-06-17 | | Release date: | 2018-04-11 | | Identifier: | (2~{R})-2-azanyl-3-[(2~{R})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-propanoic acid |
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 | | N69 | | Name: | 6-(CYCLOHEXYLMETHOXY)-8-ISOPROPYL-9H-PURIN-2-AMINE | | Formula: | C15 H23 N5 O | | SMILES: | n2c(OCC1CCCCC1)c3nc(nc3nc2N)C(C)C | | InChi: | InChI=1S/C15H23N5O/c1-9(2)12-17-11-13(18-12)19-15(16)20-14(11)21-8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H3,16,17,18,19,20) | | Synonyms: | INHIBITOR OF CDK2 | | Definition date: | 2004-09-20 | | Last modified: | 2020-06-17 | | Identifier: | 6-(cyclohexylmethoxy)-8-(1-methylethyl)-9H-purin-2-amine |
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 | | ROV | | Name: | nevanimibe | | Formula: | C27 H39 N3 O | | SMILES: | C(C)(C)c1c(c(C(C)C)ccc1)NC(=O)NCC2(CCCC2)c3ccc(cc3)N(C)C | | InChi: | InChI=1S/C27H39N3O/c1-19(2)23-10-9-11-24(20(3)4)25(23)29-26(31)28-18-27(16-7-8-17-27)21-12-14-22(15-13-21)30(5)6/h9-15,19-20H,7-8,16-18H2,1-6H3,(H2,28,29,31) | | Synonyms: | N-({1-[4-(dimethylamino)phenyl]cyclopentyl}methyl)-N'-[2,6-di(propan-2-yl)phenyl]urea | | Definition date: | 2020-02-18 | | Last modified: | 2020-06-17 | | Release date: | 2020-05-13 | | Identifier: | N-({1-[4-(dimethylamino)phenyl]cyclopentyl}methyl)-N'-[2,6-di(propan-2-yl)phenyl]urea |
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 | | 86B | | Name: | 4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzene-1-sulfonamide | | Formula: | C12 H20 N2 O4 S | | SMILES: | c1(S(=O)(=O)N)ccc(cc1)OCC(CNC(C)C)O | | InChi: | InChI=1S/C12H20N2O4S/c1-9(2)14-7-10(15)8-18-11-3-5-12(6-4-11)19(13,16)17/h3-6,9-10,14-15H,7-8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1 | | Synonyms: | aryloxy-2-hydroxypropylammine sulfonamide | | Definition date: | 2017-08-02 | | Last modified: | 2020-06-17 | | Release date: | 2018-08-01 | | Identifier: | 4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzene-1-sulfonamide |
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 | | N6S | | Name: | (2S)-N6-(1-Methyl-2-phenylethyl)adenosine-3',5'-cyclic monophosphate | | Formula: | C19 H22 N5 O6 P | | SMILES: | O=P4(OCC5OC(n2c3ncnc(NC(C)Cc1ccccc1)c3nc2)C(O)C5O4)O | | InChi: | InChI=1S/C19H22N5O6P/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-15(25)16-13(29-19)8-28-31(26,27)30-16/h2-6,9-11,13,15-16,19,25H,7-8H2,1H3,(H,26,27)(H,20,21,23)/t11-,13-,15+,16-,19+/m0/s1 | | Synonyms: | (2S,4aS,6R,7R,7aR)-6-(6-{[(1S)-1-methyl-2-phenylethyl]amino}-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphi
nine-2,7-diol 2-oxide | | Definition date: | 2009-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (2S,4aS,6R,7R,7aR)-6-(6-{[(1S)-1-methyl-2-phenylethyl]amino}-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide |
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 | | KR2 | | Name: | (2R)-4-(2-BENZOYL-1,2-DIAZEPAN-1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE | | Formula: | C22 H24 F3 N3 O2 | | SMILES: | O=C(N2N(C(=O)c1ccccc1)CCCCC2)CC(N)Cc3cc(F)c(F)cc3F | | InChi: | InChI=1S/C22H24F3N3O2/c23-18-14-20(25)19(24)12-16(18)11-17(26)13-21(29)27-9-5-2-6-10-28(27)22(30)15-7-3-1-4-8-15/h1,3-4,7-8,12,14,17H,2,5-6,9-11,13,26H2/t17-/m1/s1 | | Synonyms: | (R)-3-AMINO-1-(2-BENZOYL-1,2-DIAZEPAN-1-YL)-4-(2,4,5-TRIFLUOROPHENYL)BUTAN-1-ONE | | Definition date: | 2007-01-24 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-4-oxo-4-[2-(phenylcarbonyl)-1,2-diazepan-1-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine |
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