 | | 5CY | | Name: | 1-(3-hydroxypropyl)-2-{(1E,3E,5E)-5-[1-(3-hydroxypropyl)-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene]penta-1,3-dien-1-y
l}-3,3-dimethyl-3H-indolium | | Formula: | C31 H39 N2 O2 | | SMILES: | OCCC[N+]=2c1ccccc1C(C=2C=CC=CC=C4N(c3ccccc3C4(C)C)CCCO)(C)C | | InChi: | InChI=1S/C31H39N2O2/c1-30(2)24-14-8-10-16-26(24)32(20-12-22-34)28(30)18-6-5-7-19-29-31(3,4)25-15-9-11-17-27(25)33(29)21-13-23-35/h5-11,14-19,34-35H,12-13,20-23H2,1-4H3/q+1 | | Synonyms: | N,N'-(dipropyl)-tetramethylindodicarbocyanine | | Definition date: | 2013-04-17 | | Last modified: | 2020-06-17 | | Identifier: | 1-(3-hydroxypropyl)-2-{(1E,3E,5E)-5-[1-(3-hydroxypropyl)-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene]penta-1,3-dien-1-yl}-3,3-dimethyl-3H-indolium |
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 | | O6P | | Name: | Doripenem | | Formula: | C15 H24 N4 O6 S2 | | SMILES: | C2(C(SC1CC(CNS(N)(=O)=O)NC1)=C(C(O)=O)N3C2C(C3=O)C(C)O)C | | InChi: | InChI=1S/C15H24N4O6S2/c1-6-11-10(7(2)20)14(21)19(11)12(15(22)23)13(6)26-9-3-8(17-5-9)4-18-27(16,24)25/h6-11,17-18,20H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t6-,7-,8+,9+,10-,11-/m1/s1 | | Synonyms: | (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-1-aza
bicyclo[3.2.0]hept-2-ene-2-carboxylic acid | | Definition date: | 2019-06-12 | | Last modified: | 2020-06-17 | | Release date: | 2019-08-07 | | Identifier: | (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid |
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 | | 5H5 | | Name: | (2S)-2-({2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}oxy)propanamide | | Formula: | C19 H22 N6 O3 | | SMILES: | C(=O)(C(C)Oc4ccc3c1n(cc(n1)c2n(C(C)C)ncn2)CCOc3c4)N | | InChi: | InChI=1S/C19H22N6O3/c1-11(2)25-19(21-10-22-25)15-9-24-6-7-27-16-8-13(28-12(3)17(20)26)4-5-14(16)18(24)23-15/h4-5,8-12H,6-7H2,1-3H3,(H2,20,26)/t12-/m0/s1 | | Synonyms: | GDC-0326 | | Definition date: | 2015-09-24 | | Last modified: | 2020-06-17 | | Release date: | 2016-01-27 | | Identifier: | (2S)-2-({2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}oxy)propanamide |
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 | | 9XX | | Name: | (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate | | Formula: | C38 H74 O4 | | SMILES: | C(CCC(OC(COC(CCCCCCCCCCCCCCC)=O)C)=O)CCCCCC(CCCCCCCC)C | | InChi: | InChI=1S/C38H74O4/c1-5-7-9-11-13-14-15-16-17-18-19-24-28-32-37(39)41-34-36(4)42-38(40)33-29-25-21-20-23-27-31-35(3)30-26-22-12-10-8-6-2/h35-36H,5-34H2,1-4H3/t35-,36-/m0/s1 | | Synonyms: | (S)-1-(palmitoyloxy)propan-2-yl (S)-10-methyloctadecanoate | | Definition date: | 2018-08-29 | | Last modified: | 2020-06-17 | | Release date: | 2018-11-14 | | Identifier: | (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate |
|
 | | OAQ | | Name: | {(2S)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol | | Formula: | C14 H21 N3 O3 | | SMILES: | [O-][N+](=O)c1c(cc2c(c1)NC(CC2)CNC(C)C)CO | | InChi: | InChI=1S/C14H21N3O3/c1-9(2)15-7-12-4-3-10-5-11(8-18)14(17(19)20)6-13(10)16-12/h5-6,9,12,15-16,18H,3-4,7-8H2,1-2H3/t12-/m0/s1 | | Synonyms: | Oxamniquine | | Definition date: | 2013-09-24 | | Last modified: | 2020-06-17 | | Release date: | 2013-12-18 | | Identifier: | {(2S)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol |
|
 | | OCB | | Name: | OCTANOYLCARNITINE | | Formula: | C15 H30 N O4 | | SMILES: | O=C(O)CC(OC(=O)CCCCCCC)C[N+](C)(C)C | | InChi: | InChI=1S/C15H29NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h13H,5-12H2,1-4H3/p+1/t13-/m1/s1 | | Synonyms: | 3-CARBOXY-N,N,N-TRIMETHYL-2-(OCTANOYLOXY)PROPAN-1-AMINIUM | | Definition date: | 2004-10-12 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-3-carboxy-N,N,N-trimethyl-2-(octanoyloxy)propan-1-aminium |
|
 | | A03 | | Name: | (10R,20R,23R)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamido
propyl)-10-methyl-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide | | Formula: | C37 H63 N17 O9 | | SMILES: | O=C(N)C(NC(=O)C(NC(=O)CCCCCNC(=O)C(NC(=O)CCCCCNC(=O)C3OC(n2cnc1c(ncnc12)N)C(O)C3O)C)CCCNC(=[N@H])N)CCCNC(=[N@H])N | | InChi: | InChI=1S/C37H63N17O9/c1-20(51-23(55)12-4-2-7-15-45-34(62)28-26(57)27(58)35(63-28)54-19-50-25-29(38)48-18-49-31(25)54)32(60)44-14-6-3-5-13-24(56)52-22(11-9-17-47-37(42)43)33(61)53-21(30(39)59)10-8-16-46-36(40)41/h18-22,26-28,35,57-58H,2-17H2,1H3,(H2,39,59)(H,44,60)(H,45,62)(H,51,55)(H,52,56)(H,53,61)(H2,38,48,49)(H4,40,41,46)(H4,42,43,47)/t20-,21-,22-,26+,27-,28+,35-/m1/s1 | | Synonyms: | ARC-1039 | | Definition date: | 2010-05-27 | | Last modified: | 2020-06-17 | | Identifier: | (10R,20R,23R)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamidopropyl)-10-methyl-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide (non-preferred name) |
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 | | OCV | | Name: | N6-[(1R)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOMETHYL)-2-OXOETHYL]-6-OXO-D-LYSINE | | Formula: | C14 H24 N2 O7 S | | SMILES: | O=C(OC(C(=O)O)C(C)C)C(NC(=O)CCCC(C(=O)O)N)CS | | InChi: | InChI=1S/C14H24N2O7S/c1-7(2)11(13(20)21)23-14(22)9(6-24)16-10(17)5-3-4-8(15)12(18)19/h7-9,11,24H,3-6,15H2,1-2H3,(H,16,17)(H,18,19)(H,20,21)/t8-,9-,11+/m0/s1 | | Synonyms: | L-D-(A-AMINOADIPOYL)-L-CYSTEINE D-A-HYDROXYISOVALERYL ESTER | | Definition date: | 2001-04-12 | | Last modified: | 2020-06-17 | | Identifier: | N~6~-[(1R)-2-{[(1R)-1-carboxy-2-methylpropyl]oxy}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine |
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 | | A3S | | Name: | SERINE-3'-AMINOADENOSINE | | Formula: | C13 H19 N7 O5 | | SMILES: | O=C(NC3C(OC(n2cnc1c(ncnc12)N)C3O)CO)C(N)CO | | InChi: | InChI=1S/C13H19N7O5/c14-5(1-21)12(24)19-7-6(2-22)25-13(9(7)23)20-4-18-8-10(15)16-3-17-11(8)20/h3-7,9,13,21-23H,1-2,14H2,(H,19,24)(H2,15,16,17)/t5-,6+,7+,9+,13+/m0/s1 | | Synonyms: | N'-L-SERYL-3'-AMINO-(3'-DEOXY)-ADENOSINE | | Definition date: | 2004-06-24 | | Last modified: | 2020-06-17 | | Identifier: | 3'-deoxy-3'-(L-serylamino)adenosine |
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 | | OGK | | Name: | (1S,2S)-2-ethyl-1-({[(3aS,4S,6R,7aS)-6-ethyl-1-oxooctahydro-1H-inden-4-yl]carbonyl}amino)cyclopropanecarboxylic acid | | Formula: | C18 H27 N O4 | | SMILES: | O=C(NC1(C(=O)O)CC1CC)C3CC(CC)CC2C(=O)CCC23 | | InChi: | InChI=1S/C18H27NO4/c1-3-10-7-13-12(5-6-15(13)20)14(8-10)16(21)19-18(17(22)23)9-11(18)4-2/h10-14H,3-9H2,1-2H3,(H,19,21)(H,22,23)/t10-,11+,12+,13+,14+,18+/m1/s1 | | Synonyms: | Coronatine | | Definition date: | 2010-09-07 | | Last modified: | 2020-06-17 | | Identifier: | (1S,2S)-2-ethyl-1-({[(3aS,4S,6R,7aS)-6-ethyl-1-oxooctahydro-1H-inden-4-yl]carbonyl}amino)cyclopropanecarboxylic acid |
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 | | A70 | | Name: | N-ethyl-N-[(4-methylpiperazin-1-yl)carbonyl]-D-phenylalanyl-N-[(1S,2S,4R)-4-(butylcarbamoyl)-1-(cyclohexylmethyl)-2-hyd
roxy-5-methylhexyl]-L-norleucinamide | | Formula: | C42 H70 N6 O5 | | SMILES: | O=C(N1CCN(C)CC1)N3C(C(=O)N(C(C(=O)NC(CC2CCCCC2)C(O)CC(C(=O)NCCCC)C(C)C)CCCC)CC3)Cc4ccccc4 | | InChi: | InChI=1S/C42H70N6O5/c1-6-8-20-36(40(51)44-35(28-32-16-12-10-13-17-32)38(49)30-34(31(3)4)39(50)43-21-9-7-2)47-26-27-48(42(53)46-24-22-45(5)23-25-46)37(41(47)52)29-33-18-14-11-15-19-33/h11,14-15,18-19,31-32,34-38,49H,6-10,12-13,16-17,20-30H2,1-5H3,(H,43,50)(H,44,51)/t34-,35-,36-,37+,38-/m0/s1 | | Synonyms: | A70450 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (2S,4S,5S)-5-{[(2S)-2-{(3R)-3-benzyl-4-[(4-methylpiperazin-1-yl)carbonyl]-2-oxopiperazin-1-yl}hexanoyl]amino}-N-butyl-6-cyclohexyl-4-hydroxy-2-(1-methylethyl)hexanamide |
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 | | A8X | | Name: | 3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid | | Formula: | C21 H21 F N2 O4 S | | SMILES: | OC(=O)CCn1c2CC[CH](Cc2c3ccccc13)N[S](=O)(=O)c4ccc(F)cc4 | | InChi: | InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1 | | Synonyms: | Ramatroban | | Definition date: | 2018-10-23 | | Last modified: | 2020-06-17 | | Release date: | 2018-12-19 | | Identifier: | 3-[(3~{R})-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid |
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 | | ON3 | | Name: | 1-(4-{[(2S,3R)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]oxy}phenyl)cyclopropan
ecarboxylic acid | | Formula: | C31 H34 O7 | | SMILES: | c1(cc(c(c(c1)OC)C)OC)C(C(COc2ccc(cc2)C3(C(O)=O)CC3)OC4Cc5c(C4)cccc5)O | | InChi: | InChI=1S/C31H34O7/c1-19-26(35-2)16-22(17-27(19)36-3)29(32)28(38-25-14-20-6-4-5-7-21(20)15-25)18-37-24-10-8-23(9-11-24)31(12-13-31)30(33)34/h4-11,16-17,25,28-29,32H,12-15,18H2,1-3H3,(H,33,34)/t28-,29+/m0/s1 | | Synonyms: | ONO-3080573 | | Definition date: | 2015-03-31 | | Last modified: | 2020-06-17 | | Release date: | 2015-06-03 | | Identifier: | 1-(4-{[(2S,3R)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]oxy}phenyl)cyclopropanecarboxylic acid |
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 | | OPS | | Name: | 3-OXO-3-[(3-OXOPROPYL)SULFANYL]PROPANE-1-THIOLATE | | Formula: | C6 H9 O2 S2 | | SMILES: | O=C(SCCC=O)CC[S-] | | InChi: | InChI=1S/C6H10O2S2/c7-3-1-5-10-6(8)2-4-9/h3,9H,1-2,4-5H2/p-1 | | Synonyms: | 2-(3-OXO-PROPYLSULFANYLCARBONYL)-ETHANETHIOLATE | | Definition date: | 2004-05-06 | | Last modified: | 2020-06-17 | | Identifier: | 3-oxo-3-[(3-oxopropyl)sulfanyl]propane-1-thiolate |
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 | | OQR | | Name: | {(2R)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol | | Formula: | C14 H21 N3 O3 | | SMILES: | C2Cc1cc(CO)c(cc1NC2CNC(C)C)[N+]([O-])=O | | InChi: | InChI=1S/C14H21N3O3/c1-9(2)15-7-12-4-3-10-5-11(8-18)14(17(19)20)6-13(10)16-12/h5-6,9,12,15-16,18H,3-4,7-8H2,1-2H3/t12-/m1/s1 | | Synonyms: | oxamniquine | | Definition date: | 2015-06-11 | | Last modified: | 2020-06-17 | | Release date: | 2015-09-30 | | Identifier: | {(2R)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol |
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 | | 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 |
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 | | BAT | | Name: | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE | | Formula: | C23 H31 N3 O4 S2 | | SMILES: | O=C(NC)C(NC(=O)C(C(C(=O)NO)CSc1sccc1)CC(C)C)Cc2ccccc2 | | InChi: | InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1 | | Synonyms: | BATIMASTAT | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (2R,3S)-N~1~-[(1S)-1-benzyl-2-(methylamino)-2-oxoethyl]-N~4~-hydroxy-2-(2-methylpropyl)-3-[(thiophen-2-ylsulfanyl)methyl]butanediamide |
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 | | BAV | | Name: | (3S,14R,16S)-16-[(1R)-1-hydroxy-2-{[3-(1-methylethyl)benzyl]amino}ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-
dione | | Formula: | C29 H49 N3 O3 | | SMILES: | O=C2NC(C(O)CNCc1cccc(c1)C(C)C)CC(C)CCCCCCCCC(=O)N(C)C2C | | InChi: | InChI=1S/C29H49N3O3/c1-21(2)25-15-12-14-24(18-25)19-30-20-27(33)26-17-22(3)13-10-8-6-7-9-11-16-28(34)32(5)23(4)29(35)31-26/h12,14-15,18,21-23,26-27,30,33H,6-11,13,16-17,19-20H2,1-5H3,(H,31,35)/t22-,23+,26+,27-/m1/s1 | | Synonyms: | (3S,14R,16S)-16-[(R)-1-Hydroxy-2-(3-isopropyl-benzylamino)-ethyl]-3,4,14-trimethyl-1,4diaza-cyclohexadecane-2,5-dione | | Definition date: | 2008-07-21 | | Last modified: | 2020-06-17 | | Identifier: | (3S,14R,16S)-16-[(1R)-1-hydroxy-2-{[3-(1-methylethyl)benzyl]amino}ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione |
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 | | BBL | | Name: | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | | Formula: | C11 H13 N O4 | | SMILES: | O=C(O)C(NC(=O)OCc1ccccc1)C | | InChi: | InChI=1S/C11H13NO4/c1-8(10(13)14)12-11(15)16-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,15)(H,13,14)/t8-/m0/s1 | | Synonyms: | N-BENZYLOXYCARBONYL-L-SERINE-BETALACTONE | | Definition date: | 2005-07-07 | | Last modified: | 2020-06-17 | | Identifier: | N-[(benzyloxy)carbonyl]-L-alanine |
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 | | BEP | | Name: | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | | Formula: | C24 H34 N2 O | | SMILES: | O(CC(C)C)CC(N1CCCC1)CN(c2ccccc2)Cc3ccccc3 | | InChi: | InChI=1S/C24H34N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3/t24-/m0/s1 | | Synonyms: | BEPRIDIL | | Definition date: | 2000-01-24 | | Last modified: | 2020-06-17 | | Identifier: | N-benzyl-N-[(2S)-3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]aniline |
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 | | P01 | | Name: | 2-({6-[(3-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL | | Formula: | C19 H25 Cl N6 O | | SMILES: | Clc1cccc(c1)Nc3nc(nc2c3ncn2C(C)C)NC(C(C)C)CO | | InChi: | InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1 | | Synonyms: | PURVALANOL A | | Definition date: | 2005-02-07 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-2-({6-[(3-chlorophenyl)amino]-9-(1-methylethyl)-9H-purin-2-yl}amino)-3-methylbutan-1-ol |
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 | | P13 | | Name: | N-[2-(3-AMINOPROPOXY)-5-(1H-INDOL-5-YL)BENZYL]-N-(2-PIPERAZIN-1-YLETHYL)AMINE | | Formula: | C24 H33 N5 O | | SMILES: | O(c3ccc(c2cc1ccnc1cc2)cc3CNCCN4CCNCC4)CCCN | | InChi: | InChI=1S/C24H33N5O/c25-7-1-15-30-24-5-3-20(19-2-4-23-21(16-19)6-8-28-23)17-22(24)18-27-11-14-29-12-9-26-10-13-29/h2-6,8,16-17,26-28H,1,7,9-15,18,25H2 | | Synonyms: | RBT550 INHIBITOR | | Definition date: | 2003-12-10 | | Last modified: | 2020-06-17 | | Identifier: | 3-[4-(1H-indol-5-yl)-2-{[(2-piperazin-1-ylethyl)amino]methyl}phenoxy]propan-1-amine |
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 | | P2Z | | Name: | Promazine | | Formula: | C17 H20 N2 S | | SMILES: | S2c1ccccc1N(c3c2cccc3)CCCN(C)C | | InChi: | InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3 | | Synonyms: | N,N-dimethyl-3-(10H-phenothiazin-10-yl)propan-1-amine | | Definition date: | 2013-08-23 | | Last modified: | 2020-06-17 | | Release date: | 2014-01-22 | | Identifier: | N,N-dimethyl-3-(10H-phenothiazin-10-yl)propan-1-amine |
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 | | 4WW | | Name: | bis(cyanido-kappaC)(dicarbonyl)-mu-(oxomethylidene)[mu-propane-1,3-bis(thiolate)-1kappa~2~S~1~,S~3~:2kappa~2~S~1~,S~3~]
diiron(2+) | | Formula: | C8 H6 Fe2 N2 O3 S2 | | SMILES: | O=C1[Fe]|2(S|3CCCS|2[Fe]1|3(C#N)C#[O+])(C#N)C#[O+] | | InChi: | InChI=1S/C3H6S2.2CN.3CO.2Fe/c4-2-1-3-5 | | Synonyms: | propane-dithiolato-bridged [2Fe2S] cluster | | Definition date: | 2015-06-15 | | Last modified: | 2020-06-17 | | Release date: | 2015-11-11 |
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 | | PBG | | Name: | 3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-1H-PYRROL-3-YL]PROPANOIC ACID | | Formula: | C10 H14 N2 O4 | | SMILES: | O=C(O)CCc1c(c(nc1)CN)CC(=O)O | | InChi: | InChI=1S/C10H14N2O4/c11-4-8-7(3-10(15)16)6(5-12-8)1-2-9(13)14/h5,12H,1-4,11H2,(H,13,14)(H,15,16) | | Synonyms: | 2-AMINOMETHYLPYRROL-3-ACETIC ACID 4-PROPIONIC ACID | | Definition date: | 2000-07-14 | | Last modified: | 2020-06-17 | | Identifier: | 3-[5-(aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid |
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