![U6Y U6Y](https://data.pdbj.org/pdbjplus/data/cc/svg/U6Y.svg) | U6Y | Name: | benzyl {(3S)-1-[(2S)-1-({(2S,3R)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidin-3-yl}carbamate | Formula: | C29 H41 N5 O7 | SMILES: | CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)C(=O)NC1CC1)N1CC(CC1=O)NC(=O)OCc1ccccc1 | InChi: | InChI=1S/C29H41N5O7/c1-17(2)12-23(34-15-21(14-24(34)35)32-29(40)41-16-18-6-4-3-5-7-18)27(38)33-22(13-19-10-11-30-26(19)37)25(36)28(39)31-20-8-9-20/h3-7,17,19-23,25,36H,8-16H2,1-2H3,(H,30,37)(H,31,39)(H,32,40)(H,33,38)/t19-,21-,22-,23-,25+/m0/s1 | Definition date: | 2022-08-08 | Last modified: | 2023-03-31 | Release date: | 2023-04-05 | Identifier: | benzyl {(3S)-1-[(2S)-1-({(2S,3R)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidin-3-yl}carbamate |
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![U76 U76](https://data.pdbj.org/pdbjplus/data/cc/svg/U76.svg) | U76 | Name: | (3,5-difluorophenyl)methyl {(3S)-1-[(2S)-1-({(2S,3R)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-6-oxopiperidin-3-yl}carbamate | Formula: | C30 H41 F2 N5 O7 | SMILES: | O=C1NCCC1CC(NC(=O)C(CC(C)C)N1CC(CCC1=O)NC(=O)OCc1cc(F)cc(F)c1)C(O)C(=O)NC1CC1 | InChi: | InChI=1S/C30H41F2N5O7/c1-16(2)9-24(28(41)36-23(12-18-7-8-33-27(18)40)26(39)29(42)34-21-3-4-21)37-14-22(5-6-25(37)38)35-30(43)44-15-17-10-19(31)13-20(32)11-17/h10-11,13,16,18,21-24,26,39H,3-9,12,14-15H2,1-2H3,(H,33,40)(H,34,42)(H,35,43)(H,36,41)/t18-,22-,23-,24-,26+/m0/s1 | Definition date: | 2022-08-08 | Last modified: | 2023-03-31 | Release date: | 2023-04-05 | Identifier: | (3,5-difluorophenyl)methyl {(3S)-1-[(2S)-1-({(2S,3R)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-6-oxopiperidin-3-yl}carbamate |
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![OHF OHF](https://data.pdbj.org/pdbjplus/data/cc/svg/OHF.svg) | OHF | Name: | 2-hydroxy-6-({(3S)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl}methoxy)benzaldehyde | Formula: | C20 H22 N2 O6 | SMILES: | O=C(N1CCOCC1COc1cccc(O)c1C=O)c1cccnc1CCO | InChi: | InChI=1S/C20H22N2O6/c23-9-6-17-15(3-2-7-21-17)20(26)22-8-10-27-12-14(22)13-28-19-5-1-4-18(25)16(19)11-24/h1-5,7,11,14,23,25H,6,8-10,12-13H2/t14-/m0/s1 | Definition date: | 2022-05-02 | Last modified: | 2023-03-31 | Release date: | 2023-04-05 | Identifier: | 2-hydroxy-6-({(3S)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl}methoxy)benzaldehyde |
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![ZB9 ZB9](https://data.pdbj.org/pdbjplus/data/cc/svg/ZB9.svg) | ZB9 | Name: | 2-(3,5-dichloroanilino)-1-{(3R)-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}ethan-1-one | Formula: | C20 H22 Cl2 N6 O | SMILES: | O=C(CNc1cc(Cl)cc(Cl)c1)N1CCCC(C1)N(C)c1ncnc2[NH]ccc21 | InChi: | InChI=1S/C20H22Cl2N6O/c1-27(20-17-4-5-23-19(17)25-12-26-20)16-3-2-6-28(11-16)18(29)10-24-15-8-13(21)7-14(22)9-15/h4-5,7-9,12,16,24H,2-3,6,10-11H2,1H3,(H,23,25,26)/t16-/m1/s1 | Definition date: | 2023-03-08 | Last modified: | 2023-03-31 | Release date: | 2023-04-05 | Identifier: | 2-(3,5-dichloroanilino)-1-{(3R)-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}ethan-1-one |
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![WUF WUF](https://data.pdbj.org/pdbjplus/data/cc/svg/WUF.svg) | WUF | Name: | benzyl[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)]iron | Formula: | C41 H39 Fe N4 O4 | SMILES: | O=C(O)CCC1=C(C)C2=CC=3C(C=C)=C(C)C4=Cc5c(C=C)c(C)c6C=C7C(C)=C(CCC(=O)O)C=8C=C1N2[Fe](Cc1ccccc1)(n65)(N4=3)N7=8 | InChi: | InChI=1S/C34H34N4O4.C7H7.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25 | Definition date: | 2022-10-19 | Last modified: | 2023-03-31 | Release date: | 2023-04-05 | Identifier: | benzyl[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)]iron |
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![WUK WUK](https://data.pdbj.org/pdbjplus/data/cc/svg/WUK.svg) | WUK | Name: | methyl 4-{2-[3-(2-{[(1R)-1-(naphthalen-1-yl)ethyl]carbamoyl}phenyl)propanoyl]hydrazinyl}-4-oxobutanoate | Formula: | C27 H29 N3 O5 | SMILES: | O=C(OC)CCC(=O)NNC(=O)CCc1ccccc1C(=O)NC(C)c1cccc2ccccc21 | InChi: | InChI=1S/C27H29N3O5/c1-18(21-13-7-10-19-8-3-5-11-22(19)21)28-27(34)23-12-6-4-9-20(23)14-15-24(31)29-30-25(32)16-17-26(33)35-2/h3-13,18H,14-17H2,1-2H3,(H,28,34)(H,29,31)(H,30,32)/t18-/m1/s1 | Definition date: | 2022-10-19 | Last modified: | 2023-03-31 | Release date: | 2023-04-05 | Identifier: | methyl 4-{2-[3-(2-{[(1R)-1-(naphthalen-1-yl)ethyl]carbamoyl}phenyl)propanoyl]hydrazinyl}-4-oxobutanoate |
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![XBC XBC](https://data.pdbj.org/pdbjplus/data/cc/svg/XBC.svg) | XBC | Name: | Cruentaren A | Formula: | C33 H51 N O8 | SMILES: | CCCC(O)C(C)C(=O)NCC=C/CC(C)C(O)C(C)C1CC=CCC(C)C(O)Cc2cc(OC)cc(O)c2C(=O)O1 | InChi: | InChI=1S/C33H51NO8/c1-7-12-26(35)22(4)32(39)34-16-11-10-14-21(3)31(38)23(5)29-15-9-8-13-20(2)27(36)18-24-17-25(41-6)19-28(37)30(24)33(40)42-29/h8-11,17,19-23,26-27,29,31,35-38H,7,12-16,18H2,1-6H3,(H,34,39)/b9-8-,11-10-/t20-,21+,22+,23+,26-,27+,29-,31+/m0/s1 | Synonyms: | (2R,3S)-N-{(2Z,5R,6R,7S)-7-[(3S,5Z,8S,9R)-9,14-dihydroxy-12-methoxy-8-methyl-1-oxo-3,4,7,8,9,10-hexahydro-1H-2-benzoxacyclododecin-3-yl]-6-hydroxy-5-methyloct-2-en-1-yl}-3-hydroxy-2-methylhexanamide | Definition date: | 2022-11-09 | Last modified: | 2023-03-31 | Release date: | 2023-04-05 | Identifier: | (2R,3S)-N-{(2Z,5R,6R,7S)-7-[(3S,5Z,8S,9R)-9,14-dihydroxy-12-methoxy-8-methyl-1-oxo-3,4,7,8,9,10-hexahydro-1H-2-benzoxacyclododecin-3-yl]-6-hydroxy-5-methyloct-2-en-1-yl}-3-hydroxy-2-methylhexanamide |
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![80N 80N](https://data.pdbj.org/pdbjplus/data/cc/svg/80N.svg) | 80N | Name: | (1R,2E,6E,9E)-2,5,5,9-tetramethylcycloundeca-2,6,9-trien-1-ol | Formula: | C15 H24 O | SMILES: | CC1=CC[CH](O)C(=CCC(C)(C)C=CC1)C | InChi: | InChI=1S/C15H24O/c1-12-6-5-10-15(3,4)11-9-13(2)14(16)8-7-12/h5,7,9-10,14,16H,6,8,11H2,1-4H3/b10-5+,12-7+,13-9+/t14-/m1/s1 | Definition date: | 2022-03-02 | Last modified: | 2023-03-31 | Release date: | 2023-04-05 | Identifier: | (1~{R},2~{E},6~{E},9~{E})-2,5,5,9-tetramethylcycloundeca-2,6,9-trien-1-ol |
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![813 813](https://data.pdbj.org/pdbjplus/data/cc/svg/813.svg) | 813 | Name: | (1~{S},3~{R},11~{R},13~{S},14~{Z},18~{E})-1,8,14,17,17-pentamethyl-5,13-bis(oxidanyl)-2-oxatricyclo[9.9.0.0^{3,9}]icosa-4,7,9,14,18-pentaen-6-one | Formula: | C24 H32 O4 | SMILES: | CC1=CCC(C)(C)C=CC[C]2(C)OC3=C(C[CH]2C[CH]1O)C(=CC(=O)C(=C3)O)C | InChi: | InChI=1S/C24H32O4/c1-15-7-10-23(3,4)8-6-9-24(5)17(13-19(15)25)12-18-16(2)11-20(26)21(27)14-22(18)28-24/h6-8,11,14,17,19,25H,9-10,12-13H2,1-5H3,(H,26,27)/b8-6+,15-7-/t17-,19-,24-/m0/s1 | Definition date: | 2022-03-02 | Last modified: | 2023-03-31 | Release date: | 2023-04-05 | Identifier: | (1~{S},11~{S},13~{S},14~{Z},18~{E})-1,8,14,17,17-pentamethyl-5,13-bis(oxidanyl)-2-oxatricyclo[9.9.0.0^{3,9}]icosa-3(9),4,7,14,18-pentaen-6-one |
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![N6I N6I](https://data.pdbj.org/pdbjplus/data/cc/svg/N6I.svg) | N6I | Name: | (3M)-4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-1H-benzimidazol-2-yl]pyridin-2(1H)-one | Formula: | C25 H26 Cl N5 O3 | SMILES: | Clc1cccc(c1)C(O)CNC=1C=CNC(=O)C=1c1nc2c(cc(cc2C)N2CCOCC2)[NH]1 | InChi: | InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1 | Definition date: | 2022-03-24 | Last modified: | 2023-03-31 | Release date: | 2023-04-05 | Identifier: | (3M)-4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-1H-benzimidazol-2-yl]pyridin-2(1H)-one |
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![OW6 OW6](https://data.pdbj.org/pdbjplus/data/cc/svg/OW6.svg) | OW6 | Name: | 6-[(E)-2-(4-chlorophenyl)ethenyl]-2-{[(2R)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid | Formula: | C29 H23 Cl N2 O6 | SMILES: | O=C(OC)C(Cc1ccc(O)cc1)NC(=O)c1cc(c2cc(ccc2n1)/C=C/c1ccc(Cl)cc1)C(=O)O | InChi: | InChI=1S/C29H23ClN2O6/c1-38-29(37)26(15-19-6-11-21(33)12-7-19)32-27(34)25-16-23(28(35)36)22-14-18(8-13-24(22)31-25)3-2-17-4-9-20(30)10-5-17/h2-14,16,26,33H,15H2,1H3,(H,32,34)(H,35,36)/b3-2+/t26-/m1/s1 | Definition date: | 2022-05-18 | Last modified: | 2023-03-31 | Release date: | 2023-04-05 | Identifier: | 6-[(E)-2-(4-chlorophenyl)ethenyl]-2-{[(2R)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid |
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![QIP QIP](https://data.pdbj.org/pdbjplus/data/cc/svg/QIP.svg) | QIP | Name: | 2-[(2~{S})-2-(3-methylsulfanylpropanimidoyl)-2-oxidanyl-4-oxidanylidene-imidazolidin-1-yl]-2-oxidanylidene-ethanamide | Formula: | C9 H14 N4 O4 S | SMILES: | CSCCC(=N)[C]1(O)NC(=O)CN1C(=O)C(N)=O | InChi: | InChI=1S/C9H14N4O4S/c1-18-3-2-5(10)9(17)12-6(14)4-13(9)8(16)7(11)15/h10,17H,2-4H2,1H3,(H2,11,15)(H,12,14)/b10-5-/t9-/m0/s1 | Synonyms: | CHROMOPHORE (MET-TYR-GLY) | Definition date: | 2022-11-01 | Last modified: | 2023-03-31 | Release date: | 2023-04-05 | Identifier: | 2-[(2~{S})-2-(3-methylsulfanylpropanimidoyl)-2-oxidanyl-4-oxidanylidene-imidazolidin-1-yl]-2-oxidanylidene-ethanamide |
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![OZ0 OZ0](https://data.pdbj.org/pdbjplus/data/cc/svg/OZ0.svg) | OZ0 | Name: | 3-({[(1S)-1-boronopropyl]sulfamoyl}methyl)benzoic acid | Formula: | C11 H16 B N O6 S | SMILES: | O=S(=O)(Cc1cccc(c1)C(=O)O)NC(CC)B(O)O | InChi: | InChI=1S/C11H16BNO6S/c1-2-10(12(16)17)13-20(18,19)7-8-4-3-5-9(6-8)11(14)15/h3-6,10,13,16-17H,2,7H2,1H3,(H,14,15)/t10-/m1/s1 | Definition date: | 2022-05-19 | Last modified: | 2023-03-31 | Release date: | 2023-04-05 | Identifier: | 3-({[(1S)-1-boronopropyl]sulfamoyl}methyl)benzoic acid |
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![OZ9 OZ9](https://data.pdbj.org/pdbjplus/data/cc/svg/OZ9.svg) | OZ9 | Name: | 3-({[(1R)-1-boronopropyl]sulfamoyl}methyl)benzoic acid | Formula: | C11 H16 B N O6 S | SMILES: | O=S(=O)(Cc1cccc(c1)C(=O)O)NC(CC)B(O)O | InChi: | InChI=1S/C11H16BNO6S/c1-2-10(12(16)17)13-20(18,19)7-8-4-3-5-9(6-8)11(14)15/h3-6,10,13,16-17H,2,7H2,1H3,(H,14,15)/t10-/m0/s1 | Definition date: | 2022-05-19 | Last modified: | 2023-03-31 | Release date: | 2023-04-05 | Identifier: | 3-({[(1R)-1-boronopropyl]sulfamoyl}methyl)benzoic acid |
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![OZF OZF](https://data.pdbj.org/pdbjplus/data/cc/svg/OZF.svg) | OZF | Name: | 3-[(4S)-4-ethyl-5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl]benzoic acid | Formula: | C11 H17 B N O9 P S | SMILES: | O=S(=O)(Cc1cccc(c1)C(=O)O)NC(CC)B(O)OP(=O)(O)O | InChi: | InChI=1S/C11H17BNO9PS/c1-2-10(12(16)22-23(17,18)19)13-24(20,21)7-8-4-3-5-9(6-8)11(14)15/h3-6,10,13,16H,2,7H2,1H3,(H,14,15)(H2,17,18,19)/t10-/m1/s1 | Definition date: | 2022-05-19 | Last modified: | 2023-03-31 | Release date: | 2023-04-05 | Identifier: | 3-[(4S)-4-ethyl-5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl]benzoic acid |
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![OZO OZO](https://data.pdbj.org/pdbjplus/data/cc/svg/OZO.svg) | OZO | Name: | 3-[(4R)-4-ethyl-5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl]benzoic acid | Formula: | C11 H17 B N O9 P S | SMILES: | O=S(=O)(Cc1cccc(c1)C(=O)O)NC(CC)B(O)OP(=O)(O)O | InChi: | InChI=1S/C11H17BNO9PS/c1-2-10(12(16)22-23(17,18)19)13-24(20,21)7-8-4-3-5-9(6-8)11(14)15/h3-6,10,13,16H,2,7H2,1H3,(H,14,15)(H2,17,18,19)/t10-/m0/s1 | Definition date: | 2022-05-19 | Last modified: | 2023-03-31 | Release date: | 2023-04-05 | Identifier: | 3-[(4R)-4-ethyl-5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl]benzoic acid |
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![9ZN 9ZN](https://data.pdbj.org/pdbjplus/data/cc/svg/9ZN.svg) | 9ZN | Name: | (2~{R})-3-methyl-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-sulfanyl-butanoic acid | Formula: | C13 H19 N2 O7 P S | SMILES: | Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](C(O)=O)C(C)(C)S)c1O | InChi: | InChI=1S/C13H19N2O7PS/c1-7-10(16)9(5-15-11(12(17)18)13(2,3)24)8(4-14-7)6-22-23(19,20)21/h4-5,11,16,24H,6H2,1-3H3,(H,17,18)(H2,19,20,21)/b15-5+/t11-/m1/s1 | Definition date: | 2022-04-05 | Last modified: | 2023-03-31 | Release date: | 2023-04-05 | Identifier: | (2~{R})-3-methyl-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-sulfanyl-butanoic acid |
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![9PV 9PV](https://data.pdbj.org/pdbjplus/data/cc/svg/9PV.svg) | 9PV | Name: | (2~{S})-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-sulfanyl-propanoic acid | Formula: | C11 H15 N2 O7 P S | SMILES: | Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](CS)C(O)=O)c1O | InChi: | InChI=1S/C11H15N2O7PS/c1-6-10(14)8(3-13-9(5-22)11(15)16)7(2-12-6)4-20-21(17,18)19/h2-3,9,14,22H,4-5H2,1H3,(H,15,16)(H2,17,18,19)/b13-3+/t9-/m1/s1 | Definition date: | 2022-04-17 | Last modified: | 2023-03-31 | Release date: | 2023-04-05 | Identifier: | (2~{S})-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-sulfanyl-propanoic acid |
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![9YC 9YC](https://data.pdbj.org/pdbjplus/data/cc/svg/9YC.svg) | 9YC | Name: | (2~{E})-3-cyano-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylimino]propanoic acid | Formula: | C12 H14 N3 O7 P | SMILES: | Cc1ncc(CO[P](O)(O)=O)c(CN=C(CC#N)C(O)=O)c1O | InChi: | InChI=1S/C12H14N3O7P/c1-7-11(16)9(5-15-10(2-3-13)12(17)18)8(4-14-7)6-22-23(19,20)21/h4,16H,2,5-6H2,1H3,(H,17,18)(H2,19,20,21)/b15-10+ | Definition date: | 2022-04-19 | Last modified: | 2023-03-31 | Release date: | 2023-04-05 | Identifier: | (2~{E})-3-cyano-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylimino]propanoic acid |
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![9YX 9YX](https://data.pdbj.org/pdbjplus/data/cc/svg/9YX.svg) | 9YX | Name: | (2~{S},4~{S})-2-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-1,3-thiazolidine-4-carboxylic acid | Formula: | C11 H15 N2 O7 P S | SMILES: | Cc1ncc(CO[P](O)(O)=O)c([CH]2N[CH](CS2)C(O)=O)c1O | InChi: | InChI=1S/C11H15N2O7PS/c1-5-9(14)8(10-13-7(4-22-10)11(15)16)6(2-12-5)3-20-21(17,18)19/h2,7,10,13-14H,3-4H2,1H3,(H,15,16)(H2,17,18,19)/t7-,10+/m1/s1 | Definition date: | 2022-04-17 | Last modified: | 2023-03-31 | Release date: | 2023-04-05 | Identifier: | (2~{S},4~{S})-2-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-1,3-thiazolidine-4-carboxylic acid |
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![7ON 7ON](https://data.pdbj.org/pdbjplus/data/cc/svg/7ON.svg) | 7ON | Name: | (3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide | Formula: | C31 H44 F3 N5 O6 | SMILES: | FC(F)(F)C(=O)N[CH](C1CCCCC1)C(=O)N2C[CH]3CCC[CH]3[CH]2C(=O)N[CH](C[CH]4CCNC4=O)C(=O)C(=O)NC5CCCC5 | InChi: | InChI=1S/C31H44F3N5O6/c32-31(33,34)30(45)38-23(17-7-2-1-3-8-17)29(44)39-16-19-9-6-12-21(19)24(39)27(42)37-22(15-18-13-14-35-26(18)41)25(40)28(43)36-20-10-4-5-11-20/h17-24H,1-16H2,(H,35,41)(H,36,43)(H,37,42)(H,38,45)/t18-,19-,21-,22-,23-,24-/m0/s1 | Definition date: | 2023-03-01 | Last modified: | 2023-03-31 | Release date: | 2023-04-05 | Identifier: | (3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide |
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![EIL EIL](https://data.pdbj.org/pdbjplus/data/cc/svg/EIL.svg) | EIL | Name: | [6-methyl-4-[[(5-methyl-2-oxidanylidene-furan-3-ylidene)amino]methyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate | Formula: | C13 H15 N2 O7 P | SMILES: | CC1=CC(=NCc2c(O)c(C)ncc2CO[P](O)(O)=O)C(=O)O1 | InChi: | InChI=1S/C13H15N2O7P/c1-7-3-11(13(17)22-7)15-5-10-9(6-21-23(18,19)20)4-14-8(2)12(10)16/h3-4,16H,5-6H2,1-2H3,(H2,18,19,20)/b15-11+ | Definition date: | 2022-04-19 | Last modified: | 2023-03-31 | Release date: | 2023-04-05 | Identifier: | [6-methyl-4-[[(5-methyl-2-oxidanylidene-furan-3-ylidene)amino]methyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate |
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![8X9 8X9](https://data.pdbj.org/pdbjplus/data/cc/svg/8X9.svg) | 8X9 | Name: | 2-[(1R,5S,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid | Formula: | C12 H19 N O2 | SMILES: | CCC1=C[CH]2[CH](C1)C[C]2(CN)CC(O)=O | InChi: | InChI=1S/C12H19NO2/c1-2-8-3-9-5-12(7-13,6-11(14)15)10(9)4-8/h4,9-10H,2-3,5-7,13H2,1H3,(H,14,15)/t9-,10-,12-/m1/s1 | Synonyms: | Mirogabalin | Definition date: | 2021-12-28 | Last modified: | 2023-03-31 | Release date: | 2023-04-05 | Identifier: | 2-[(1~{R},5~{S},6~{S})-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]ethanoic acid |
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![HFI HFI](https://data.pdbj.org/pdbjplus/data/cc/svg/HFI.svg) | HFI | Name: | 1-methyl-9~{H}-pyrido[3,4-b]indol-7-ol | Formula: | C12 H10 N2 O | SMILES: | Cc1nccc2c1[nH]c3cc(O)ccc23 | InChi: | InChI=1S/C12H10N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-6,14-15H,1H3 | Synonyms: | harmol | Definition date: | 2022-05-25 | Last modified: | 2023-03-31 | Release date: | 2023-04-05 | Identifier: | 1-methyl-9~{H}-pyrido[3,4-b]indol-7-ol |
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![IVG IVG](https://data.pdbj.org/pdbjplus/data/cc/svg/IVG.svg) | IVG | Name: | D-Xylose, 4-O-beta-D-xylopyranosyl- | Formula: | C10 H18 O9 | SMILES: | OC[CH](O[CH]1OC[CH](O)[CH](O)[CH]1O)[CH](O)[CH](O)C=O | InChi: | InChI=1S/C10H18O9/c11-1-4(13)7(15)6(2-12)19-10-9(17)8(16)5(14)3-18-10/h1,4-10,12-17H,2-3H2/t4-,5+,6+,7+,8-,9+,10-/m0/s1 | Synonyms: | Xylobiose | Definition date: | 2022-04-14 | Last modified: | 2023-03-31 | Release date: | 2023-04-05 | Identifier: | (2~{R},3~{R},4~{R})-2,3,5-tris(oxidanyl)-4-[(2~{S},3~{R},4~{S},5~{R})-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-pentanal |
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