![C1A C1A](https://data.pdbj.org/pdbjplus/data/cc/svg/C1A.svg) | C1A | Name: | (2,5-dimethylbenzene-1,4-diyl)dimethanediyl bis(N-carbamimidoylcarbamimidothioate) | Formula: | C14 H22 N8 S2 | SMILES: | S(C(=[N@H])NC(=[N@H])N)Cc1cc(c(cc1C)CSC(=[N@H])NC(=[N@H])N)C | InChi: | InChI=1S/C14H22N8S2/c1-7-3-10(6-24-14(20)22-12(17)18)8(2)4-9(7)5-23-13(19)21-11(15)16/h3-4H,5-6H2,1-2H3,(H5,15,16,19,21)(H5,17,18,20,22) | Synonyms: | 4-({[(E)-{[(E)-AMINO(IMINO)METHYL]AMINO}(IMINO)METHYL]SULFANYL}METHYL)-2,5-DIMETHYLBENZYL
N-[(E)-AMINO(IMINO)METHYL]IMIDOTHIOCARBAMATE | Definition date: | 2005-08-31 | Last modified: | 2020-06-17 | Identifier: | (2,5-dimethylbenzene-1,4-diyl)dimethanediyl bis(N-carbamimidoylcarbamimidothioate) |
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![C1C C1C](https://data.pdbj.org/pdbjplus/data/cc/svg/C1C.svg) | C1C | Name: | 1,1'-binaphthalene-2,2'-dicarboxylic acid | Formula: | C22 H14 O4 | SMILES: | O=C(O)c4ccc1c(cccc1)c4c2c3c(ccc2C(=O)O)cccc3 | InChi: | InChI=1S/C22H14O4/c23-21(24)17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22(25)26/h1-12H,(H,23,24)(H,25,26) | Synonyms: | 1-(2-carboxynaphth-1yl)-2-naphthoic acid | Definition date: | 2010-04-19 | Last modified: | 2020-06-17 | Identifier: | 1,1'-binaphthalene-2,2'-dicarboxylic acid |
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![U7V U7V](https://data.pdbj.org/pdbjplus/data/cc/svg/U7V.svg) | U7V | Name: | Tedizolid | Formula: | C17 H15 F N6 O3 | SMILES: | c2cc(c1nn(C)nn1)ncc2c3c(F)cc(cc3)N4CC(OC4=O)CO | InChi: | InChI=1S/C17H15FN6O3/c1-23-21-16(20-22-23)15-5-2-10(7-19-15)13-4-3-11(6-14(13)18)24-8-12(9-25)27-17(24)26/h2-7,12,25H,8-9H2,1H3/t12-/m1/s1 | Synonyms: | torezolid | Definition date: | 2020-04-30 | Last modified: | 2020-06-17 | Release date: | 2020-06-03 | Identifier: | (5R)-3-{3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl]phenyl}-5-(hydroxymethyl)-1,3-oxazolidin-2-one |
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![C1Q C1Q](https://data.pdbj.org/pdbjplus/data/cc/svg/C1Q.svg) | C1Q | Name: | N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-10-phenyldecanamide | Formula: | C40 H71 N O9 | SMILES: | O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCCCc2ccccc2 | InChi: | InChI=1S/C40H71NO9/c1-2-3-4-5-6-7-8-9-10-13-16-22-27-33(43)36(45)32(30-49-40-39(48)38(47)37(46)34(29-42)50-40)41-35(44)28-23-17-14-11-12-15-19-24-31-25-20-18-21-26-31/h18,20-21,25-26,32-34,36-40,42-43,45-48H,2-17,19,22-24,27-30H2,1H3,(H,41,44)/t32-,33+,34+,36-,37-,38-,39+,40-/m0/s1 | Synonyms: | (2S,3S,4R)-N-PHENYLDECANOYL-1-[(ALPHA-D-GALACTOPYRANOSYL)OXY]-2-AMINO-OCTADECANE-3,4-DIOL | Definition date: | 2009-04-07 | Last modified: | 2020-06-17 | Identifier: | N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-10-phenyldecanamide |
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![C2A C2A](https://data.pdbj.org/pdbjplus/data/cc/svg/C2A.svg) | C2A | Name: | 1-(3-CHLOROPHENYL)METHANAMINE | Formula: | C7 H8 Cl N | SMILES: | Clc1cc(ccc1)CN | InChi: | InChI=1S/C7H8ClN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2 | Synonyms: | INHIBITOR OF THROMBIN | Definition date: | 2005-12-08 | Last modified: | 2020-06-17 | Identifier: | 1-(3-chlorophenyl)methanamine |
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![C2H C2H](https://data.pdbj.org/pdbjplus/data/cc/svg/C2H.svg) | C2H | Name: | acetylene | Formula: | C2 H2 | SMILES: | C#C | InChi: | InChI=1S/C2H2/c1-2/h1-2H | Synonyms: | ethyne | Definition date: | 2017-10-19 | Last modified: | 2020-06-17 | Release date: | 2018-01-10 | Identifier: | ethyne |
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![C3D C3D](https://data.pdbj.org/pdbjplus/data/cc/svg/C3D.svg) | C3D | Name: | (5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-2-OL | Formula: | C28 H31 N O2 | SMILES: | O(c1ccc(cc1)C4c2ccc(O)cc2CCC4c3ccccc3)CCN5CCCC5 | InChi: | InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28+/m1/s1 | Synonyms: | Lasofoxifene | Definition date: | 2007-02-21 | Last modified: | 2020-06-17 | Identifier: | (5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol |
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![C4P C4P](https://data.pdbj.org/pdbjplus/data/cc/svg/C4P.svg) | C4P | Name: | N-[(1R)-2-(BENZYLSULFANYL)-1-FORMYLETHYL]-N-(MORPHOLIN-4-YLCARBONYL)-L-PHENYLALANINAMIDE | Formula: | C24 H29 N3 O4 S | SMILES: | O=C(NC(C(=O)NC(C=O)CSCc1ccccc1)Cc2ccccc2)N3CCOCC3 | InChi: | InChI=1S/C24H29N3O4S/c28-16-21(18-32-17-20-9-5-2-6-10-20)25-23(29)22(15-19-7-3-1-4-8-19)26-24(30)27-11-13-31-14-12-27/h1-10,16,21-22H,11-15,17-18H2,(H,25,29)(H,26,30)/t21-,22+/m1/s1 | Synonyms: | MORPHOLINE-4-CARBOXYLIC ACID [1-(2-BENZYLSULFANYL-1-FORMYL-ETHYLCARBAMOYL)-2-PHENYL-ETHYL]-AMIDE | Definition date: | 2003-02-11 | Last modified: | 2020-06-17 | Identifier: | N-[(1R)-2-(benzylsulfanyl)-1-formylethyl]-Nalpha-(morpholin-4-ylcarbonyl)-L-phenylalaninamide |
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![C5E C5E](https://data.pdbj.org/pdbjplus/data/cc/svg/C5E.svg) | C5E | Name: | (1R,5S)-1,2,3,4,5,6-HEXAHYDRO-8H-1,5-METHANOPYRIDO[1,2-A][1,5]DIAZOCIN-8-ONE | Formula: | C11 H14 N2 O | SMILES: | O=C1C=CC=C2N1CC3CNCC2C3 | InChi: | InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9+/m0/s1 | Synonyms: | CYTISINE | Definition date: | 2012-01-23 | Last modified: | 2020-06-17 | Identifier: | (1R,5S)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
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![C6H C6H](https://data.pdbj.org/pdbjplus/data/cc/svg/C6H.svg) | C6H | Name: | 1-(7-chloranyl-4-methoxy-1~{H}-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one | Formula: | C24 H33 Cl N2 O2 | SMILES: | COc1c(cc(Cl)c2[nH]ccc12)C(=O)CCC3CCN(CC3)CC4CCCCC4 | InChi: | InChI=1S/C24H33ClN2O2/c1-29-24-19-9-12-26-23(19)21(25)15-20(24)22(28)8-7-17-10-13-27(14-11-17)16-18-5-3-2-4-6-18/h9,12,15,17-18,26H,2-8,10-11,13-14,16H2,1H3 | Synonyms: | MR28926 | Definition date: | 2017-11-15 | Last modified: | 2020-06-17 | Release date: | 2018-11-21 | Identifier: | 1-(7-chloranyl-4-methoxy-1~{H}-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one |
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![C6Q C6Q](https://data.pdbj.org/pdbjplus/data/cc/svg/C6Q.svg) | C6Q | Name: | N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-6-phenylhexanamide | Formula: | C36 H63 N O9 | SMILES: | O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCc2ccccc2 | InChi: | InChI=1S/C36H63NO9/c1-2-3-4-5-6-7-8-9-10-11-12-18-23-29(39)32(41)28(26-45-36-35(44)34(43)33(42)30(25-38)46-36)37-31(40)24-19-14-17-22-27-20-15-13-16-21-27/h13,15-16,20-21,28-30,32-36,38-39,41-44H,2-12,14,17-19,22-26H2,1H3,(H,37,40)/t28-,29+,30+,32-,33-,34-,35+,36-/m0/s1 | Synonyms: | (2S,3S,4R)-N-PHENYLHEXANOYL-1-[(ALPHA-D-GALACTOPYRANOSYL)OXY]-2-AMINO-OCTADECANE-3,4-DIOL | Definition date: | 2009-04-06 | Last modified: | 2020-06-17 | Identifier: | N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-6-phenylhexanamide |
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![C76 C76](https://data.pdbj.org/pdbjplus/data/cc/svg/C76.svg) | C76 | Name: | 2,2,2-tris(fluoranyl)-N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide | Formula: | C8 H12 F3 N O6 | SMILES: | OC[CH]1O[CH](O)[CH](NC(=O)C(F)(F)F)[CH](O)[CH]1O | InChi: | InChI=1S/C8H12F3NO6/c9-8(10,11)7(17)12-3-5(15)4(14)2(1-13)18-6(3)16/h2-6,13-16H,1H2,(H,12,17)/t2-,3-,4-,5-,6-/m1/s1 | Synonyms: | N-trifluoroacetyl-D-glucosamine | Definition date: | 2019-04-12 | Last modified: | 2020-06-17 | Release date: | 2020-05-13 | Identifier: | 2,2,2-tris(fluoranyl)-~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide |
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![C7M C7M](https://data.pdbj.org/pdbjplus/data/cc/svg/C7M.svg) | C7M | Name: | (2S,3R)-N-[5-CHLORO-2-(2,3-DIHYDRO-1H-TETRAZOL-1-YL)BENZYL]-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL]AMINO}-1-PHENYLBUTA
N-2-AMINIUM | Formula: | C25 H30 Cl N6 O4 S | SMILES: | O=S(=O)(c1ccc(OC)cc1)NCC(O)C(Cc2ccccc2)[NH2+]Cc3cc(Cl)ccc3N4C=NNN4 | InChi: | InChI=1S/C25H29ClN6O4S/c1-36-21-8-10-22(11-9-21)37(34,35)29-16-25(33)23(13-18-5-3-2-4-6-18)27-15-19-14-20(26)7-12-24(19)32-17-28-30-31-32/h2-12,14,17,23,25,27,29-31,33H,13,15-16H2,1H3/p+1/t23-,25+/m0/s1 | Synonyms: | INHIBITOR OF THROMBIN | Definition date: | 2005-12-08 | Last modified: | 2020-06-17 | Identifier: | (2S,3R)-N-[5-chloro-2-(2,3-dihydro-1H-tetrazol-1-yl)benzyl]-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl]amino}-1-phenylbutan-2-aminium |
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![C8F C8F](https://data.pdbj.org/pdbjplus/data/cc/svg/C8F.svg) | C8F | Name: | 8-(4-fluorophenyl)-N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}octanamide | Formula: | C38 H66 F N O9 | SMILES: | Fc1ccc(cc1)CCCCCCCC(=O)NC(COC2OC(C(O)C(O)C2O)CO)C(O)C(O)CCCCCCCCCCCCCC | InChi: | InChI=1S/C38H66FNO9/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-31(42)34(44)30(27-48-38-37(47)36(46)35(45)32(26-41)49-38)40-33(43)21-18-15-12-13-16-19-28-22-24-29(39)25-23-28/h22-25,30-32,34-38,41-42,44-47H,2-21,26-27H2,1H3,(H,40,43)/t30-,31+,32+,34-,35-,36-,37+,38-/m0/s1 | Synonyms: | (2S,3S,4R)-N-4-FLUOROPHENYLOCTANOYL- 1-[(ALPHA-D-GALACTOPYRANOSYL)OXY]-2-AMINO-OCTADECANE-3,4-DIOL | Definition date: | 2009-04-07 | Last modified: | 2020-06-17 | Identifier: | 8-(4-fluorophenyl)-N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}octanamide |
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![C8M C8M](https://data.pdbj.org/pdbjplus/data/cc/svg/C8M.svg) | C8M | Name: | 3-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]propanamid
e | Formula: | C15 H23 N7 O4 | SMILES: | O=C(N)CCN(C)CC3OC(n2c(nc1c(ncnc12)N)C)C(O)C3O | InChi: | InChI=1S/C15H23N7O4/c1-7-20-10-13(17)18-6-19-14(10)22(7)15-12(25)11(24)8(26-15)5-21(2)4-3-9(16)23/h6,8,11-12,15,24-25H,3-5H2,1-2H3,(H2,16,23)(H2,17,18,19)/t8-,11-,12-,15-/m1/s1 | Synonyms: | 5'-[(2-carboxamidomethyl)methylamino]-5'-deoxy-8-methyladenosine | Definition date: | 2008-07-31 | Last modified: | 2020-06-17 | Identifier: | 3-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]propanamide (non-preferred name) |
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![C8P C8P](https://data.pdbj.org/pdbjplus/data/cc/svg/C8P.svg) | C8P | Name: | N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-8-phenyloctanamide | Formula: | C38 H67 N O9 | SMILES: | O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCc2ccccc2 | InChi: | InChI=1S/C38H67NO9/c1-2-3-4-5-6-7-8-9-10-11-14-20-25-31(41)34(43)30(28-47-38-37(46)36(45)35(44)32(27-40)48-38)39-33(42)26-21-15-12-13-17-22-29-23-18-16-19-24-29/h16,18-19,23-24,30-32,34-38,40-41,43-46H,2-15,17,20-22,25-28H2,1H3,(H,39,42)/t30-,31+,32+,34-,35-,36-,37+,38-/m0/s1 | Synonyms: | (2S,3S,4R)-N-PHENYLOCTANOYL-1-[(ALPHA-D-GALACTOPYRANOSYL)OXY]-2-AMINO-OCTADECANE-3,4-DIOL | Definition date: | 2009-04-07 | Last modified: | 2020-06-17 | Identifier: | N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-8-phenyloctanamide |
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![C8X C8X](https://data.pdbj.org/pdbjplus/data/cc/svg/C8X.svg) | C8X | Name: | bis(2-hydroxyethyl) benzene-1,4-dicarboxylate | Formula: | C12 H14 O6 | SMILES: | OCCOC(=O)c1ccc(cc1)C(=O)OCCO | InChi: | InChI=1S/C12H14O6/c13-5-7-17-11(15)9-1-2-10(4-3-9)12(16)18-8-6-14/h1-4,13-14H,5-8H2 | Synonyms: | bis(2-hydroxyethyl) terephthalate | Definition date: | 2019-04-16 | Last modified: | 2020-06-17 | Release date: | 2020-04-15 | Identifier: | bis(2-hydroxyethyl) benzene-1,4-dicarboxylate |
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![CAD CAD](https://data.pdbj.org/pdbjplus/data/cc/svg/CAD.svg) | CAD | Name: | CACODYLIC ACID | Formula: | C2 H7 As O2 | SMILES: | O=[As](O)(C)C | InChi: | InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5) | Synonyms: | HYDROXYDIMETHYLARSINE OXIDE | Definition date: | 1999-07-26 | Last modified: | 2020-06-17 | Identifier: | dimethylarsinic acid |
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![CAU CAU](https://data.pdbj.org/pdbjplus/data/cc/svg/CAU.svg) | CAU | Name: | (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol | Formula: | C18 H22 N2 O2 | SMILES: | OC(CNC(C)C)COc3cccc2c3c1c(cccc1)n2 | InChi: | InChI=1S/C18H22N2O2/c1-12(2)19-10-13(21)11-22-17-9-5-8-16-18(17)14-6-3-4-7-15(14)20-16/h3-9,12-13,19-21H,10-11H2,1-2H3/t13-/m0/s1 | Synonyms: | (S)-Carazolol | Definition date: | 2007-10-10 | Last modified: | 2020-06-17 | Identifier: | (2S)-1-(9H-carbazol-4-yloxy)-3-[(1-methylethyl)amino]propan-2-ol |
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![CB9 CB9](https://data.pdbj.org/pdbjplus/data/cc/svg/CB9.svg) | CB9 | Name: | (2R,4S)-2-[(1R)-1-{[(2S)-2-carboxy-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | Formula: | C17 H20 N2 O6 S | SMILES: | O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)C(=O)O | InChi: | InChI=1S/C17H20N2O6S/c1-17(2)12(16(24)25)19-14(26-17)10(8-20)18-13(21)11(15(22)23)9-6-4-3-5-7-9/h3-8,10-12,14,19H,1-2H3,(H,18,21)(H,22,23)(H,24,25)/t10-,11+,12+,14-/m1/s1 | Synonyms: | Bound form of Carbenicillin | Definition date: | 2010-10-12 | Last modified: | 2020-06-17 | Identifier: | (2R,4S)-2-[(1R)-1-{[(2S)-2-carboxy-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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![CBE CBE](https://data.pdbj.org/pdbjplus/data/cc/svg/CBE.svg) | CBE | Name: | 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE | Formula: | C12 H13 N O2 S | SMILES: | O=C(C=1SCCOC=1C)Nc2ccccc2 | InChi: | InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14) | Synonyms: | 5,6-DIHYDRO-2-METHYL-1,4-OXATHIIN-3-CARBOXANILID | Definition date: | 2005-07-21 | Last modified: | 2020-06-17 | Identifier: | 2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
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![CBQ CBQ](https://data.pdbj.org/pdbjplus/data/cc/svg/CBQ.svg) | CBQ | Name: | [(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC ACID | Formula: | C6 H9 Cl N2 O6 P2 | SMILES: | O=P(O)(O)C(Nc1ncc(Cl)cc1)P(=O)(O)O | InChi: | InChI=1S/C6H9ClN2O6P2/c7-4-1-2-5(8-3-4)9-6(16(10,11)12)17(13,14)15/h1-3,6H,(H,8,9)(H2,10,11,12)(H2,13,14,15) | Synonyms: | [{(5-CHLORO-2-PYRIDINYL)AMINO} METHYLENE]-1,1-BISPHOSPHONATE | Definition date: | 2004-04-20 | Last modified: | 2020-06-17 | Identifier: | {[(5-chloropyridin-2-yl)amino]methanediyl}bis(phosphonic acid) |
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![CCB CCB](https://data.pdbj.org/pdbjplus/data/cc/svg/CCB.svg) | CCB | Name: | CYCLOBUTYL(CYCLOPENTYL)FORMAMIDE | Formula: | C10 H17 N O | SMILES: | O=CN(C1CCC1)C2CCCC2 | InChi: | InChI=1S/C10H17NO/c12-8-11(10-6-3-7-10)9-4-1-2-5-9/h8-10H,1-7H2 | Synonyms: | N-CYCLOPENTYL-N-CYCLOBUTYLFORMAMIDE | Definition date: | 2004-07-26 | Last modified: | 2020-06-17 | Identifier: | N-cyclobutyl-N-cyclopentylformamide |
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![CCE CCE](https://data.pdbj.org/pdbjplus/data/cc/svg/CCE.svg) | CCE | Name: | 2-[(AMINOCARBONYL)OXY]-N,N,N-TRIMETHYLETHANAMINIUM | Formula: | C6 H15 N2 O2 | SMILES: | O=C(OCC[N+](C)(C)C)N | InChi: | InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1 | Synonyms: | CARBAMYL-CHOLINE | Definition date: | 2004-01-15 | Last modified: | 2020-06-17 | Identifier: | 2-(carbamoyloxy)-N,N,N-trimethylethanaminium |
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![CCR CCR](https://data.pdbj.org/pdbjplus/data/cc/svg/CCR.svg) | CCR | Name: | [N-[N-(4-METHOXY-2,3,6-TRIMETHYLPHENYLSULFONYL)-L-ASPARTYL]-D-(4-AMIDINO-PHENYLALANYL)]-PIPERIDINE | Formula: | C29 H39 N5 O7 S | SMILES: | O=C(N1CCCCC1)C(NC(=O)C(NS(=O)(=O)c2c(c(c(OC)cc2C)C)C)CC(=O)O)Cc3ccc(C(=[N@H])N)cc3 | InChi: | InChI=1S/C29H39N5O7S/c1-17-14-24(41-4)18(2)19(3)26(17)42(39,40)33-22(16-25(35)36)28(37)32-23(29(38)34-12-6-5-7-13-34)15-20-8-10-21(11-9-20)27(30)31/h8-11,14,22-23,33H,5-7,12-13,15-16H2,1-4H3,(H3,30,31)(H,32,37)(H,35,36)/t22-,23+/m0/s1 | Synonyms: | CRC200 (CHIRON-BEHRING) | Definition date: | 2001-10-23 | Last modified: | 2020-06-17 | Identifier: | N-[(2R)-3-(4-carbamimidoylphenyl)-1-oxo-1-(piperidin-1-yl)propan-2-yl]-N~2~-[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]-L-alpha-asparagine |
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