![SIQ SIQ](https://data.pdbj.org/pdbjplus/data/cc/svg/SIQ.svg) | SIQ | Name: | methyl (1S,4S)-5-{(4P)-4-[5-amino-6-(difluoromethoxy)pyrazin-2-yl]-6-[(1R,4R)-2-azabicyclo[2.1.1]hexan-2-yl]pyridin-2-yl}-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate | Formula: | C22 H25 F2 N7 O3 | SMILES: | FC(F)Oc1nc(cnc1N)c1cc(nc(c1)N1CC2CC1C2)N1CC2CC1CN2C(=O)OC | InChi: | InChI=1S/C22H25F2N7O3/c1-33-22(32)31-10-14-6-15(31)9-30(14)18-5-12(4-17(28-18)29-8-11-2-13(29)3-11)16-7-26-19(25)20(27-16)34-21(23)24/h4-5,7,11,13-15,21H,2-3,6,8-10H2,1H3,(H2,25,26)/t11-,13+,14-,15-/m0/s1 | Definition date: | 2022-07-05 | Last modified: | 2022-12-09 | Release date: | 2022-12-14 | Identifier: | methyl (1S,4S)-5-{(4P)-4-[5-amino-6-(difluoromethoxy)pyrazin-2-yl]-6-[(1R,4R)-2-azabicyclo[2.1.1]hexan-2-yl]pyridin-2-yl}-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate |
|
![SJU SJU](https://data.pdbj.org/pdbjplus/data/cc/svg/SJU.svg) | SJU | Name: | (furan-2-yl)acetic acid | Formula: | C6 H6 O3 | SMILES: | O=C(O)Cc1ccco1 | InChi: | InChI=1S/C6H6O3/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2,(H,7,8) | Definition date: | 2022-07-06 | Last modified: | 2022-12-09 | Release date: | 2022-12-14 | Identifier: | (furan-2-yl)acetic acid |
|
![90Q 90Q](https://data.pdbj.org/pdbjplus/data/cc/svg/90Q.svg) | 90Q | Name: | (2~{R})-2-(3-chloranyl-4-oxidanyl-phenyl)-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one | Formula: | C15 H11 Cl O5 | SMILES: | Oc1cc(O)c2C(=O)C[CH](Oc2c1)c3ccc(O)c(Cl)c3 | InChi: | InChI=1S/C15H11ClO5/c16-9-3-7(1-2-10(9)18)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-5,13,17-19H,6H2/t13-/m1/s1 | Definition date: | 2021-12-31 | Last modified: | 2022-12-09 | Release date: | 2022-12-14 | Identifier: | (2~{R})-2-(3-chloranyl-4-oxidanyl-phenyl)-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one |
|
![91C 91C](https://data.pdbj.org/pdbjplus/data/cc/svg/91C.svg) | 91C | Name: | (2~{R})-2-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one | Formula: | C15 H10 Cl2 O5 | SMILES: | Oc1cc(O)c2C(=O)C[CH](Oc2c1)c3cc(Cl)c(O)c(Cl)c3 | InChi: | InChI=1S/C15H10Cl2O5/c16-8-1-6(2-9(17)15(8)21)12-5-11(20)14-10(19)3-7(18)4-13(14)22-12/h1-4,12,18-19,21H,5H2/t12-/m1/s1 | Definition date: | 2021-12-31 | Last modified: | 2022-12-09 | Release date: | 2022-12-14 | Identifier: | (2~{R})-2-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one |
|
![NUC NUC](https://data.pdbj.org/pdbjplus/data/cc/svg/NUC.svg) | NUC | Name: | (2E)-3-[(7S)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide | Formula: | C23 H24 N4 O3 | SMILES: | NC1CCc2cc(cnc2NC1=O)/C=C/C(=O)N(C)Cc1oc2ccccc2c1C | InChi: | InChI=1S/C23H24N4O3/c1-14-17-5-3-4-6-19(17)30-20(14)13-27(2)21(28)10-7-15-11-16-8-9-18(24)23(29)26-22(16)25-12-15/h3-7,10-12,18H,8-9,13,24H2,1-2H3,(H,25,26,29)/b10-7+/t18-/m0/s1 | Definition date: | 2022-04-08 | Last modified: | 2022-12-09 | Release date: | 2022-12-14 | Identifier: | (2E)-3-[(7S)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide |
|
![DO0 DO0](https://data.pdbj.org/pdbjplus/data/cc/svg/DO0.svg) | DO0 | Name: | 4-hydroxy-2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1H-isoindole-1,3(2H)-dione | Formula: | C14 H12 N2 O5 | SMILES: | O=C1NC(=O)CCC1(C)N1C(=O)c2cccc(O)c2C1=O | InChi: | InChI=1S/C14H12N2O5/c1-14(6-5-9(18)15-13(14)21)16-11(19)7-3-2-4-8(17)10(7)12(16)20/h2-4,17H,5-6H2,1H3,(H,15,18,21)/t14-/m1/s1 | Definition date: | 2021-11-30 | Last modified: | 2022-12-09 | Release date: | 2022-12-14 | Identifier: | 4-hydroxy-2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1H-isoindole-1,3(2H)-dione |
|
![DVO DVO](https://data.pdbj.org/pdbjplus/data/cc/svg/DVO.svg) | DVO | Name: | 2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid | Formula: | C15 H12 N2 O6 | SMILES: | O=C(O)c1ccc2C(=O)N(C(=O)c2c1)C1(C)CCC(=O)NC1=O | InChi: | InChI=1S/C15H12N2O6/c1-15(5-4-10(18)16-14(15)23)17-11(19)8-3-2-7(13(21)22)6-9(8)12(17)20/h2-3,6H,4-5H2,1H3,(H,21,22)(H,16,18,23)/t15-/m1/s1 | Definition date: | 2021-11-30 | Last modified: | 2022-12-09 | Release date: | 2022-12-14 | Identifier: | 2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid |
|
![E1I E1I](https://data.pdbj.org/pdbjplus/data/cc/svg/E1I.svg) | E1I | Name: | N-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-[5-(3-cyano-4-hydroxy-5-methylphenyl)-3-methyl-2-(1-methyl-1H-pyrazol-4-yl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide | Formula: | C30 H28 Cl N9 O4 | SMILES: | N#Cc1cc(cc(C)c1O)c1cn(CC(=O)Nc2cc(ncc2Cl)N2CCOCC2)c2N=C(c3cn(C)nc3)N(C)C(=O)c12 | InChi: | InChI=1S/C30H28ClN9O4/c1-17-8-18(9-19(11-32)27(17)42)21-15-40(29-26(21)30(43)38(3)28(36-29)20-12-34-37(2)14-20)16-25(41)35-23-10-24(33-13-22(23)31)39-4-6-44-7-5-39/h8-10,12-15,42H,4-7,16H2,1-3H3,(H,33,35,41) | Definition date: | 2021-12-01 | Last modified: | 2022-12-09 | Release date: | 2022-12-14 | Identifier: | N-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-[5-(3-cyano-4-hydroxy-5-methylphenyl)-3-methyl-2-(1-methyl-1H-pyrazol-4-yl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide |
|
![E2E E2E](https://data.pdbj.org/pdbjplus/data/cc/svg/E2E.svg) | E2E | Name: | 3-chloro-5-{1-[2-({5-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl}-2-hydroxybenzamide | Formula: | C26 H23 Cl2 F N6 O4 | SMILES: | NC(=O)c1cc(cc(Cl)c1O)c1cn(CC(=O)Nc2cc(ncc2Cl)N2CCOCC2C)c2nccc(F)c21 | InChi: | InChI=1S/C26H23Cl2FN6O4/c1-13-12-39-5-4-35(13)21-8-20(18(28)9-32-21)33-22(36)11-34-10-16(23-19(29)2-3-31-26(23)34)14-6-15(25(30)38)24(37)17(27)7-14/h2-3,6-10,13,37H,4-5,11-12H2,1H3,(H2,30,38)(H,32,33,36)/t13-/m0/s1 | Definition date: | 2021-12-01 | Last modified: | 2022-12-09 | Release date: | 2022-12-14 | Identifier: | 3-chloro-5-{1-[2-({5-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl}-2-hydroxybenzamide |
|
![ECK ECK](https://data.pdbj.org/pdbjplus/data/cc/svg/ECK.svg) | ECK | Name: | (3~{S},8~{S},9~{S},10~{R},13~{R},14~{S},17~{R})-17-[(6~{R})-2,10-dimethyl-2-oxidanyl-undecan-6-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-ol | Formula: | C32 H56 O2 | SMILES: | CC(C)CCC[CH](CCCC(C)(C)O)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C | InChi: | InChI=1S/C32H56O2/c1-22(2)9-7-10-23(11-8-18-30(3,4)34)27-14-15-28-26-13-12-24-21-25(33)16-19-31(24,5)29(26)17-20-32(27,28)6/h12,22-23,25-29,33-34H,7-11,13-21H2,1-6H3/t23-,25+,26+,27-,28+,29+,31+,32-/m1/s1 | Definition date: | 2022-01-05 | Last modified: | 2022-12-09 | Release date: | 2022-12-14 | Identifier: | (3~{S},8~{S},9~{S},10~{R},13~{R},14~{S},17~{R})-17-[(6~{R})-2,10-dimethyl-2-oxidanyl-undecan-6-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-ol |
|
![TBW TBW](https://data.pdbj.org/pdbjplus/data/cc/svg/TBW.svg) | TBW | Name: | 3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide | Formula: | C11 H12 N4 O3 S2 | SMILES: | O=S(N)(=O)c1nnc(NC(=O)CCc2ccccc2)s1 | InChi: | InChI=1S/C11H12N4O3S2/c12-20(17,18)11-15-14-10(19-11)13-9(16)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,17,18)(H,13,14,16) | Definition date: | 2022-07-21 | Last modified: | 2022-12-09 | Release date: | 2022-12-14 | Identifier: | 3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide |
|
![TE3 TE3](https://data.pdbj.org/pdbjplus/data/cc/svg/TE3.svg) | TE3 | Name: | 2-cyclohexyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide | Formula: | C10 H16 N4 O3 S2 | SMILES: | O=S(N)(=O)c1nnc(NC(=O)CC2CCCCC2)s1 | InChi: | InChI=1S/C10H16N4O3S2/c11-19(16,17)10-14-13-9(18-10)12-8(15)6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,11,16,17)(H,12,13,15) | Definition date: | 2022-07-21 | Last modified: | 2022-12-09 | Release date: | 2022-12-14 | Identifier: | 2-cyclohexyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide |
|
![7N6 7N6](https://data.pdbj.org/pdbjplus/data/cc/svg/7N6.svg) | 7N6 | Name: | (2R)-2-hydroxyhexanoic acid | Formula: | C6 H12 O3 | SMILES: | CCCC[CH](O)C(O)=O | InChi: | InChI=1S/C6H12O3/c1-2-3-4-5(7)6(8)9/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m1/s1 | Definition date: | 2016-11-23 | Last modified: | 2022-12-06 | Release date: | 2018-05-09 | Identifier: | (2~{R})-2-oxidanylhexanoic acid |
|
![XG8 XG8](https://data.pdbj.org/pdbjplus/data/cc/svg/XG8.svg) | XG8 | Name: | N-[(3M)-3-(thiophen-2-yl)benzene-1-sulfonyl]-L-cysteinamide | Formula: | C13 H14 N2 O3 S3 | SMILES: | SCC(N)C(=O)NS(=O)(=O)c1cccc(c1)c1cccs1 | InChi: | InChI=1S/C13H14N2O3S3/c14-11(8-19)13(16)15-21(17,18)10-4-1-3-9(7-10)12-5-2-6-20-12/h1-7,11,19H,8,14H2,(H,15,16)/t11-/m0/s1 | Definition date: | 2022-11-15 | Last modified: | 2022-12-02 | Release date: | 2022-12-07 | Identifier: | N-[(3M)-3-(thiophen-2-yl)benzene-1-sulfonyl]-L-cysteinamide |
|
![XGC XGC](https://data.pdbj.org/pdbjplus/data/cc/svg/XGC.svg) | XGC | Name: | N-[(3M)-3-(6-methoxypyridin-3-yl)benzene-1-sulfonyl]-L-cysteinamide | Formula: | C15 H17 N3 O4 S2 | SMILES: | COc1ccc(cn1)c1cccc(c1)S(=O)(=O)NC(=O)C(N)CS | InChi: | InChI=1S/C15H17N3O4S2/c1-22-14-6-5-11(8-17-14)10-3-2-4-12(7-10)24(20,21)18-15(19)13(16)9-23/h2-8,13,23H,9,16H2,1H3,(H,18,19)/t13-/m0/s1 | Definition date: | 2022-11-15 | Last modified: | 2022-12-02 | Release date: | 2022-12-07 | Identifier: | N-[(3M)-3-(6-methoxypyridin-3-yl)benzene-1-sulfonyl]-L-cysteinamide |
|
![XTM XTM](https://data.pdbj.org/pdbjplus/data/cc/svg/XTM.svg) | XTM | Name: | N~2~-{[(3-fluorophenyl)methoxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Formula: | C21 H30 F N3 O5 | SMILES: | C2(=O)C(CC(NC(C(CC(C)C)NC(OCc1cccc(F)c1)=O)=O)CO)CCN2 | InChi: | InChI=1S/C21H30FN3O5/c1-13(2)8-18(25-21(29)30-12-14-4-3-5-16(22)9-14)20(28)24-17(11-26)10-15-6-7-23-19(15)27/h3-5,9,13,15,17-18,26H,6-8,10-12H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)/t15-,17-,18-/m0/s1 | Definition date: | 2021-01-13 | Last modified: | 2022-12-02 | Release date: | 2022-12-07 | Identifier: | N~2~-{[(3-fluorophenyl)methoxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide |
|
![YBJ YBJ](https://data.pdbj.org/pdbjplus/data/cc/svg/YBJ.svg) | YBJ | Name: | (2~{S},4~{S},5~{R},6~{S})-4-azanyl-5-methoxy-6-methyl-oxan-2-ol | Formula: | C7 H15 N O3 | SMILES: | CO[CH]1[CH](N)C[CH](O)O[CH]1C | InChi: | InChI=1S/C7H15NO3/c1-4-7(10-2)5(8)3-6(9)11-4/h4-7,9H,3,8H2,1-2H3/t4-,5-,6?,7-/m0/s1 | Synonyms: | L-actinosamine | Definition date: | 2021-02-16 | Last modified: | 2022-12-02 | Release date: | 2022-12-07 | Identifier: | (2~{S},4~{S},5~{R},6~{S})-4-azanyl-5-methoxy-6-methyl-oxan-2-ol |
|
![YBM YBM](https://data.pdbj.org/pdbjplus/data/cc/svg/YBM.svg) | YBM | Name: | [(3S)-3-{[(2-amino-4-hydroxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}-4-hydroxybutyl]phosphonic acid | Formula: | C11 H18 N5 O5 P | SMILES: | O=P(O)(O)CCC(CO)NCc1c[NH]c2c(O)nc(N)nc21 | InChi: | InChI=1S/C11H18N5O5P/c12-11-15-8-6(4-14-9(8)10(18)16-11)3-13-7(5-17)1-2-22(19,20)21/h4,7,13-14,17H,1-3,5H2,(H2,19,20,21)(H3,12,15,16,18)/t7-/m0/s1 | Definition date: | 2022-02-04 | Last modified: | 2022-12-02 | Release date: | 2022-12-07 | Identifier: | [(3S)-3-{[(2-amino-4-hydroxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}-4-hydroxybutyl]phosphonic acid |
|
![KZR KZR](https://data.pdbj.org/pdbjplus/data/cc/svg/KZR.svg) | KZR | Name: | N-(6-carbamimidamidohexyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide | Formula: | C23 H39 N5 O | SMILES: | CCC(=O)N(CCCCCCNC(=N)N)C1CCN(CCc2ccccc2)CC1 | InChi: | InChI=1S/C23H39N5O/c1-2-22(29)28(16-9-4-3-8-15-26-23(24)25)21-13-18-27(19-14-21)17-12-20-10-6-5-7-11-20/h5-7,10-11,21H,2-4,8-9,12-19H2,1H3,(H4,24,25,26) | Definition date: | 2022-02-25 | Last modified: | 2022-12-02 | Release date: | 2022-12-07 | Identifier: | N-(6-carbamimidamidohexyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide |
|
![L8X L8X](https://data.pdbj.org/pdbjplus/data/cc/svg/L8X.svg) | L8X | Name: | methyl (1S,3R)-2-(chloroacetyl)-1-[4-(methoxycarbonyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate | Formula: | C23 H21 Cl N2 O5 | SMILES: | O=C(OC)c1ccc(cc1)C1c2[NH]c3ccccc3c2CC(C(=O)OC)N1C(=O)CCl | InChi: | InChI=1S/C23H21ClN2O5/c1-30-22(28)14-9-7-13(8-10-14)21-20-16(15-5-3-4-6-17(15)25-20)11-18(23(29)31-2)26(21)19(27)12-24/h3-10,18,21,25H,11-12H2,1-2H3/t18-,21+/m1/s1 | Definition date: | 2022-03-01 | Last modified: | 2022-12-02 | Release date: | 2022-12-07 | Identifier: | methyl (1S,3R)-2-(chloroacetyl)-1-[4-(methoxycarbonyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate |
|
![L9C L9C](https://data.pdbj.org/pdbjplus/data/cc/svg/L9C.svg) | L9C | Name: | 2-chloro-N-(3-chloro-4-methoxyphenyl)-N-[(1R)-2-oxo-2-[(2-phenylethyl)amino]-1-(thiophen-2-yl)ethyl]acetamide | Formula: | C23 H22 Cl2 N2 O3 S | SMILES: | O=C(CCl)N(C(c1cccs1)C(=O)NCCc1ccccc1)c1ccc(OC)c(Cl)c1 | InChi: | InChI=1S/C23H22Cl2N2O3S/c1-30-19-10-9-17(14-18(19)25)27(21(28)15-24)22(20-8-5-13-31-20)23(29)26-12-11-16-6-3-2-4-7-16/h2-10,13-14,22H,11-12,15H2,1H3,(H,26,29)/t22-/m0/s1 | Definition date: | 2022-03-01 | Last modified: | 2022-12-02 | Release date: | 2022-12-07 | Identifier: | 2-chloro-N-(3-chloro-4-methoxyphenyl)-N-[(1R)-2-oxo-2-[(2-phenylethyl)amino]-1-(thiophen-2-yl)ethyl]acetamide |
|
![L9U L9U](https://data.pdbj.org/pdbjplus/data/cc/svg/L9U.svg) | L9U | Name: | 2-bromo-N-[(thiophen-2-yl)methyl]acetamide | Formula: | C7 H8 Br N O S | SMILES: | O=C(NCc1cccs1)CBr | InChi: | InChI=1S/C7H8BrNOS/c8-4-7(10)9-5-6-2-1-3-11-6/h1-3H,4-5H2,(H,9,10) | Definition date: | 2022-03-01 | Last modified: | 2022-12-02 | Release date: | 2022-12-07 | Identifier: | 2-bromo-N-[(thiophen-2-yl)methyl]acetamide |
|
![LBI LBI](https://data.pdbj.org/pdbjplus/data/cc/svg/LBI.svg) | LBI | Name: | 4-methoxy-1H-indole-2-carbaldehyde | Formula: | C10 H9 N O2 | SMILES: | COc1cccc2[NH]c(cc21)C=O | InChi: | InChI=1S/C10H9NO2/c1-13-10-4-2-3-9-8(10)5-7(6-12)11-9/h2-6,11H,1H3 | Definition date: | 2022-03-01 | Last modified: | 2022-12-02 | Release date: | 2022-12-07 | Identifier: | 4-methoxy-1H-indole-2-carbaldehyde |
|
![IWB IWB](https://data.pdbj.org/pdbjplus/data/cc/svg/IWB.svg) | IWB | Name: | methyl 4-[(2~{R})-3-ethanoyl-1-[2-(2-methyl-1~{H}-indol-3-yl)ethyl]-4-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-2-yl]benzoate | Formula: | C25 H24 N2 O5 | SMILES: | COC(=O)c1ccc(cc1)[CH]2N(CCc3c(C)[nH]c4ccccc34)C(=O)C(=C2C(C)=O)O | InChi: | InChI=1S/C25H24N2O5/c1-14-18(19-6-4-5-7-20(19)26-14)12-13-27-22(21(15(2)28)23(29)24(27)30)16-8-10-17(11-9-16)25(31)32-3/h4-11,22,26,29H,12-13H2,1-3H3/t22-/m1/s1 | Definition date: | 2022-07-21 | Last modified: | 2022-12-02 | Release date: | 2022-12-07 | Identifier: | methyl 4-[(2~{R})-3-ethanoyl-1-[2-(2-methyl-1~{H}-indol-3-yl)ethyl]-4-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-2-yl]benzoate |
|
![GHD GHD](https://data.pdbj.org/pdbjplus/data/cc/svg/GHD.svg) | GHD | Name: | (2~{R},4~{S},5~{S},6~{S})-5-acetamido-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]-2-[[(2~{R},3~{R},4~{S},5~{R},6~{S})-3,4,5-tris(oxidanyl)-6-[(2~{R},3~{S},4~{R},5~{R})-1,2,4,5-tetrakis(oxidanyl)-6-oxidanylidene-hexan-3-yl]oxy-oxan-2-yl]methoxy]oxane-2-carboxylic acid | Formula: | C23 H39 N O19 | SMILES: | CC(=O)N[CH]1[CH](O)C[C](OC[CH]2O[CH](O[CH]([CH](O)CO)[CH](O)[CH](O)C=O)[CH](O)[CH](O)[CH]2O)(O[CH]1[CH](O)[CH](O)CO)C(O)=O | InChi: | InChI=1S/C23H39NO19/c1-7(28)24-13-8(29)2-23(22(38)39,43-20(13)15(34)10(31)4-26)40-6-12-16(35)17(36)18(37)21(41-12)42-19(11(32)5-27)14(33)9(30)3-25/h3,8-21,26-27,29-37H,2,4-6H2,1H3,(H,24,28)(H,38,39)/t8-,9-,10+,11+,12+,13-,14+,15+,16-,17-,18+,19-,20-,21-,23+/m0/s1 | Definition date: | 2022-02-02 | Last modified: | 2022-12-02 | Release date: | 2022-12-07 | Identifier: | (2~{R},4~{S},5~{S},6~{S})-5-acetamido-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]-2-[[(2~{R},3~{R},4~{S},5~{R},6~{S})-3,4,5-tris(oxidanyl)-6-[(2~{R},3~{S},4~{R},5~{R})-1,2,4,5-tetrakis(oxidanyl)-6-oxidanylidene-hexan-3-yl]oxy-oxan-2-yl]methoxy]oxane-2-carboxylic acid |
|