![85Q 85Q](https://data.pdbj.org/pdbjplus/data/cc/svg/85Q.svg) | 85Q | Name: | (2R,4R)-1-(2-chloranylethanoyl)-N-(3-chlorophenyl)-4-phenyl-pyrrolidine-2-carboxamide | Formula: | C19 H18 Cl2 N2 O2 | SMILES: | ClCC(=O)N1C[CH](C[CH]1C(=O)Nc2cccc(Cl)c2)c3ccccc3 | InChi: | InChI=1S/C19H18Cl2N2O2/c20-11-18(24)23-12-14(13-5-2-1-3-6-13)9-17(23)19(25)22-16-8-4-7-15(21)10-16/h1-8,10,14,17H,9,11-12H2,(H,22,25)/t14-,17+/m0/s1 | Definition date: | 2021-10-04 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | (2~{R},4~{R})-1-(2-chloranylethanoyl)-~{N}-(3-chlorophenyl)-4-phenyl-pyrrolidine-2-carboxamide |
|
![86G 86G](https://data.pdbj.org/pdbjplus/data/cc/svg/86G.svg) | 86G | Name: | 2-[3-(methoxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide | Formula: | C19 H19 N3 O2 | SMILES: | COCc1cccc(c1)CC(=O)Nc1ccc(cc1)c1c[NH]nc1 | InChi: | InChI=1S/C19H19N3O2/c1-24-13-15-4-2-3-14(9-15)10-19(23)22-18-7-5-16(6-8-18)17-11-20-21-12-17/h2-9,11-12H,10,13H2,1H3,(H,20,21)(H,22,23) | Definition date: | 2021-09-08 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | 2-[3-(methoxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide |
|
![86K 86K](https://data.pdbj.org/pdbjplus/data/cc/svg/86K.svg) | 86K | Name: | 2-[methyl(phenyl)amino]-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydropyridin-1(2H)-yl]ethan-1-one | Formula: | C21 H22 N4 O | SMILES: | O=C(CN(C)c1ccccc1)N1CC=C(CC1)c1c[NH]c2ncccc12 | InChi: | InChI=1S/C21H22N4O/c1-24(17-6-3-2-4-7-17)15-20(26)25-12-9-16(10-13-25)19-14-23-21-18(19)8-5-11-22-21/h2-9,11,14H,10,12-13,15H2,1H3,(H,22,23) | Definition date: | 2021-09-08 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | 2-[methyl(phenyl)amino]-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydropyridin-1(2H)-yl]ethan-1-one |
|
![86Z 86Z](https://data.pdbj.org/pdbjplus/data/cc/svg/86Z.svg) | 86Z | Name: | pyridin-2-ylboronic acid | Formula: | C5 H6 B N O2 | SMILES: | OB(O)c1ccccn1 | InChi: | InChI=1S/C5H6BNO2/c8-6(9)5-3-1-2-4-7-5/h1-4,8-9H | Synonyms: | 2-Pyridineboronic acid | Definition date: | 2021-10-04 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | pyridin-2-ylboronic acid |
|
![87A 87A](https://data.pdbj.org/pdbjplus/data/cc/svg/87A.svg) | 87A | Name: | N-(1-fluorocyclopropane-1-carbonyl)-3-methyl-L-valyl-(4R)-N-{[2-{2-[4-({4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl}methyl)phenoxy]ethoxy}-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-4-hydroxy-L-prolinamide | Formula: | C49 H58 F N9 O7 S | SMILES: | FC1(CC1)C(=O)NC(C(=O)N1CC(O)CC1C(=O)NCc1ccc(cc1OCCOc1ccc(CN2CCN(CC2)c2cc(nnc2N)c2ccccc2O)cc1)c1scnc1C)C(C)(C)C | InChi: | InChI=1S/C49H58FN9O7S/c1-30-42(67-29-53-30)32-11-12-33(26-52-45(62)39-24-34(60)28-59(39)46(63)43(48(2,3)4)54-47(64)49(50)15-16-49)41(23-32)66-22-21-65-35-13-9-31(10-14-35)27-57-17-19-58(20-18-57)38-25-37(55-56-44(38)51)36-7-5-6-8-40(36)61/h5-14,23,25,29,34,39,43,60-61H,15-22,24,26-28H2,1-4H3,(H2,51,56)(H,52,62)(H,54,64)/t34-,39+,43-/m1/s1 | Synonyms: | ACBi1 | Definition date: | 2021-09-09 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | N-(1-fluorocyclopropane-1-carbonyl)-3-methyl-L-valyl-(4R)-N-{[2-{2-[4-({4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl}methyl)phenoxy]ethoxy}-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-4-hydroxy-L-prolinamide |
|
![8AI 8AI](https://data.pdbj.org/pdbjplus/data/cc/svg/8AI.svg) | 8AI | Name: | 2-[(4-fluorophenyl)methyl]-2-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),3(7)-dien-8-imine | Formula: | C18 H19 F N2 | SMILES: | Fc1ccc(CN2C3=C(CCC3)C(=N)C4=C2CCC4)cc1 | InChi: | InChI=1S/C18H19FN2/c19-13-9-7-12(8-10-13)11-21-16-5-1-3-14(16)18(20)15-4-2-6-17(15)21/h7-10,20H,1-6,11H2 | Definition date: | 2021-12-01 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | 2-[(4-fluorophenyl)methyl]-2-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),3(7)-dien-8-imine |
|
![8AT 8AT](https://data.pdbj.org/pdbjplus/data/cc/svg/8AT.svg) | 8AT | Name: | 1,2-dimethylquinolin-4-imine | Formula: | C11 H12 N2 | SMILES: | CN1C(=CC(=N)c2ccccc12)C | InChi: | InChI=1S/C11H12N2/c1-8-7-10(12)9-5-3-4-6-11(9)13(8)2/h3-7,12H,1-2H3/b12-10+ | Definition date: | 2021-12-01 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | 1,2-dimethylquinolin-4-imine |
|
![7IV 7IV](https://data.pdbj.org/pdbjplus/data/cc/svg/7IV.svg) | 7IV | Name: | ~{N}-(4-chlorophenyl)-2-phenylmethoxy-ethanamide | Formula: | C15 H14 Cl N O2 | SMILES: | Clc1ccc(NC(=O)COCc2ccccc2)cc1 | InChi: | InChI=1S/C15H14ClNO2/c16-13-6-8-14(9-7-13)17-15(18)11-19-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18) | Definition date: | 2021-10-07 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | ~{N}-(4-chlorophenyl)-2-phenylmethoxy-ethanamide |
|
![7IY 7IY](https://data.pdbj.org/pdbjplus/data/cc/svg/7IY.svg) | 7IY | Name: | ~{N}-(3-azanyl-4-chloranyl-phenyl)-2-methoxy-ethanamide | Formula: | C9 H11 Cl N2 O2 | SMILES: | COCC(=O)Nc1ccc(Cl)c(N)c1 | InChi: | InChI=1S/C9H11ClN2O2/c1-14-5-9(13)12-6-2-3-7(10)8(11)4-6/h2-4H,5,11H2,1H3,(H,12,13) | Definition date: | 2021-10-07 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | ~{N}-(3-azanyl-4-chloranyl-phenyl)-2-methoxy-ethanamide |
|
![9VI 9VI](https://data.pdbj.org/pdbjplus/data/cc/svg/9VI.svg) | 9VI | Name: | N-[(1S)-1-(3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[3-(trifluoromethyl)-6,7-dihydro-1H-indazol-1-yl]acetamide | Formula: | C34 H27 Cl F5 N9 O4 S | SMILES: | CS(=O)(=O)Nc1nn(C)c2c1c(Cl)ccc2N1C(=O)c2cccnc2N=C1C(Cc1cc(F)cc(F)c1)NC(=O)Cn1nc(c2C=CCCc21)C(F)(F)F | InChi: | InChI=1S/C34H27ClF5N9O4S/c1-47-28-25(10-9-22(35)27(28)31(45-47)46-54(2,52)53)49-32(43-30-21(33(49)51)7-5-11-41-30)23(14-17-12-18(36)15-19(37)13-17)42-26(50)16-48-24-8-4-3-6-20(24)29(44-48)34(38,39)40/h3,5-7,9-13,15,23H,4,8,14,16H2,1-2H3,(H,42,50)(H,45,46)/t23-/m0/s1 | Definition date: | 2021-10-29 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | N-[(1S)-1-(3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[3-(trifluoromethyl)-6,7-dihydro-1H-indazol-1-yl]acetamide |
|
![9WW 9WW](https://data.pdbj.org/pdbjplus/data/cc/svg/9WW.svg) | 9WW | Name: | N-[(1S)-1-(3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-4-oxo-3,4-dihydroquinazolin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3aM)-3-(difluoromethyl)cyclopenta[c]pyrazol-1(2H)-yl]acetamide | Formula: | C34 H27 Cl F4 N8 O4 S | SMILES: | CS(=O)(=O)Nc1nn(C)c2c1c(Cl)ccc2N1C(=O)c2ccccc2N=C1C(Cc1cc(F)cc(F)c1)NC(=O)CN1NC(=C2C=CC=C21)C(F)F | InChi: | InChI=1S/C34H27ClF4N8O4S/c1-45-30-26(11-10-22(35)28(30)32(43-45)44-52(2,50)51)47-33(41-23-8-4-3-6-20(23)34(47)49)24(14-17-12-18(36)15-19(37)13-17)40-27(48)16-46-25-9-5-7-21(25)29(42-46)31(38)39/h3-13,15,24,31,42H,14,16H2,1-2H3,(H,40,48)(H,43,44)/t24-/m0/s1 | Definition date: | 2021-10-29 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | N-[(1S)-1-(3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-4-oxo-3,4-dihydroquinazolin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3aM)-3-(difluoromethyl)cyclopenta[c]pyrazol-1(2H)-yl]acetamide |
|
![OZU OZU](https://data.pdbj.org/pdbjplus/data/cc/svg/OZU.svg) | OZU | Name: | ~{N}-pyridin-3-ylpropanamide | Formula: | C8 H10 N2 O | SMILES: | CCC(=O)Nc1cccnc1 | InChi: | InChI=1S/C8H10N2O/c1-2-8(11)10-7-4-3-5-9-6-7/h3-6H,2H2,1H3,(H,10,11) | Definition date: | 2022-09-28 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | ~{N}-pyridin-3-ylpropanamide |
|
![LU9 LU9](https://data.pdbj.org/pdbjplus/data/cc/svg/LU9.svg) | LU9 | Name: | [(2R,3S,4R,5R,6R)-2-[[(2R,4R,5R,6R)-6-[(1R)-1,2-bis(oxidanyl)ethyl]-4-[(2R,4R,5R,6R)-6-[(1R)-1,2-bis(oxidanyl)ethyl]-2-carboxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-carboxy-5-oxidanyl-oxan-2-yl]oxymethyl]-5-[[(3R)-3-dodecanoyloxytetradecanoyl]amino]-4-(3-nonanoyloxypropanoyloxy)-6-[[(2R,3S,4R,5R,6R)-3-oxidanyl-4-[(3S)-3-oxidanyltetradecanoyl]oxy-5-[[(3R)-3-oxidanyltridecanoyl]amino]-6-phosphonatooxy-oxan-2-yl]methoxy]oxan-3-yl] phosphate | Formula: | C93 H164 N2 O39 P2 | SMILES: | CCCCCCCCCCC[CH](O)CC(=O)O[CH]1[CH](O)[CH](CO[CH]2O[CH](CO[C]3(C[CH](O[C]4(C[CH](O)[CH](O)[CH](O4)[CH](O)CO)C(O)=O)[CH](O)[CH](O3)[CH](O)CO)C(O)=O)[CH](O[P]([O-])([O-])=O)[CH](OC(=O)CCOC(=O)CCCCCCCC)[CH]2NC(=O)C[CH](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O[CH](O[P]([O-])([O-])=O)[CH]1NC(=O)C[CH](O)CCCCCCCCCC | InChi: | InChI=1S/C93H168N2O39P2/c1-6-11-16-21-26-30-34-38-43-48-64(99)55-77(108)129-86-78(94-72(103)54-63(98)47-42-37-33-29-24-19-14-9-4)89(134-136(119,120)121)126-70(82(86)111)61-123-88-79(95-73(104)56-65(49-44-39-35-31-27-22-17-12-7-2)125-75(106)51-46-41-36-32-28-23-18-13-8-3)87(128-76(107)52-53-122-74(105)50-45-40-25-20-15-10-5)85(133-135(116,117)118)71(127-88)62-124-92(90(112)113)58-69(81(110)84(131-92)68(102)60-97)130-93(91(114)115)57-66(100)80(109)83(132-93)67(101)59-96/h63-71,78-89,96-102,109-111H,6-62H2,1-5H3,(H,94,103)(H,95,104)(H,112,113)(H,114,115)(H2,116,117,118)(H2,119,120,121)/p-4/t63-,64+,65-,66-,67-,68-,69-,70-,71-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,92-,93-/m1/s1 | Synonyms: | LIPOPOLYSACCHARIDE | Definition date: | 2022-07-12 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | [(2~{R},3~{S},4~{R},5~{R},6~{R})-2-[[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-carboxy-5-oxidanyl-oxan-2-yl]oxymethyl]-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-4-(3-nonanoyloxypropanoyloxy)-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-4-[(3~{S})-3-oxidanyltetradecanoyl]oxy-5-[[(3~{R})-3-oxidanyltridecanoyl]amino]-6-phosphonatooxy-oxan-2-yl]methoxy]oxan-3-yl] phosphate |
|
![MW9 MW9](https://data.pdbj.org/pdbjplus/data/cc/svg/MW9.svg) | MW9 | Name: | (21R,24R,27S)-24,27,28-trihydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaoctacosan-21-yl (9Z)-octadec-9-enoate | Formula: | C42 H81 O10 P | SMILES: | O=C(OC(COP(O)(=O)OCC(O)CO)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCC/C=CCCCCCCCC | InChi: | InChI=1S/C42H81O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,39-40,43-44H,3-17,19,21-38H2,1-2H3,(H,47,48)/b20-18-/t39-,40+/m0/s1 | Synonyms: | 1-stearoyl-2-oleoyl-sn-glycero-3-phospho-(1'-rac-glycerol) | Definition date: | 2021-10-08 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | (21R,24R,27S)-24,27,28-trihydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaoctacosan-21-yl (9Z)-octadec-9-enoate |
|
![PWL PWL](https://data.pdbj.org/pdbjplus/data/cc/svg/PWL.svg) | PWL | Name: | 6-bromo-1H-pyrrolo[3,2-b]pyridin-5-amine | Formula: | C7 H6 Br N3 | SMILES: | Brc1cc2[NH]ccc2nc1N | InChi: | InChI=1S/C7H6BrN3/c8-4-3-6-5(1-2-10-6)11-7(4)9/h1-3,10H,(H2,9,11) | Definition date: | 2022-05-31 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | 6-bromo-1H-pyrrolo[3,2-b]pyridin-5-amine |
|
![PWX PWX](https://data.pdbj.org/pdbjplus/data/cc/svg/PWX.svg) | PWX | Name: | 7-chloro-1-methyl-1H-benzimidazol-2-amine | Formula: | C8 H8 Cl N3 | SMILES: | Clc1cccc2nc(N)n(C)c12 | InChi: | InChI=1S/C8H8ClN3/c1-12-7-5(9)3-2-4-6(7)11-8(12)10/h2-4H,1H3,(H2,10,11) | Definition date: | 2022-05-31 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | 7-chloro-1-methyl-1H-benzimidazol-2-amine |
|
![PJ0 PJ0](https://data.pdbj.org/pdbjplus/data/cc/svg/PJ0.svg) | PJ0 | Name: | 3-methyl-1,5-naphthyridin-2-amine | Formula: | C9 H9 N3 | SMILES: | Cc1cc2ncccc2nc1N | InChi: | InChI=1S/C9H9N3/c1-6-5-8-7(12-9(6)10)3-2-4-11-8/h2-5H,1H3,(H2,10,12) | Definition date: | 2022-05-26 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | 3-methyl-1,5-naphthyridin-2-amine |
|
![PUI PUI](https://data.pdbj.org/pdbjplus/data/cc/svg/PUI.svg) | PUI | Name: | 4-methyl-1,5-naphthyridin-2-amine | Formula: | C9 H9 N3 | SMILES: | Cc1cc(N)nc2cccnc12 | InChi: | InChI=1S/C9H9N3/c1-6-5-8(10)12-7-3-2-4-11-9(6)7/h2-5H,1H3,(H2,10,12) | Definition date: | 2022-05-29 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | 4-methyl-1,5-naphthyridin-2-amine |
|
![99W 99W](https://data.pdbj.org/pdbjplus/data/cc/svg/99W.svg) | 99W | Name: | (S)-N-((S)-1-imino-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-4-methyl-2-(2-((2,4,6-trifluorophenyl)amino)acetamido)pentanamide | Formula: | C21 H28 F3 N5 O3 | SMILES: | Fc1cc(F)cc(F)c1NCC(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C=N | InChi: | InChI=1S/C21H28F3N5O3/c1-11(2)5-17(21(32)28-14(9-25)6-12-3-4-26-20(12)31)29-18(30)10-27-19-15(23)7-13(22)8-16(19)24/h7-9,11-12,14,17,25,27H,3-6,10H2,1-2H3,(H,26,31)(H,28,32)(H,29,30)/b25-9-/t12-,14-,17-/m0/s1 | Synonyms: | N-(2,4,6-trifluorophenyl)glycyl-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Definition date: | 2021-10-06 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | N-(2,4,6-trifluorophenyl)glycyl-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide |
|
![9A9 9A9](https://data.pdbj.org/pdbjplus/data/cc/svg/9A9.svg) | 9A9 | Name: | N-(2-{[4-(hydroxyamino)-4-oxobutyl](methyl)amino}ethyl)benzamide | Formula: | C14 H21 N3 O3 | SMILES: | O=C(NCCN(C)CCCC(=O)NO)c1ccccc1 | InChi: | InChI=1S/C14H21N3O3/c1-17(10-5-8-13(18)16-20)11-9-15-14(19)12-6-3-2-4-7-12/h2-4,6-7,20H,5,8-11H2,1H3,(H,15,19)(H,16,18) | Definition date: | 2021-10-06 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | N-(2-{[4-(hydroxyamino)-4-oxobutyl](methyl)amino}ethyl)benzamide |
|
![9BI 9BI](https://data.pdbj.org/pdbjplus/data/cc/svg/9BI.svg) | 9BI | Name: | 4-[(3-anilino-3-oxopropyl)(methyl)amino]-N-hydroxybutanamide | Formula: | C14 H21 N3 O3 | SMILES: | O=C(Nc1ccccc1)CCN(C)CCCC(=O)NO | InChi: | InChI=1S/C14H21N3O3/c1-17(10-5-8-14(19)16-20)11-9-13(18)15-12-6-3-2-4-7-12/h2-4,6-7,20H,5,8-11H2,1H3,(H,15,18)(H,16,19) | Definition date: | 2021-10-06 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | 4-[(3-anilino-3-oxopropyl)(methyl)amino]-N-hydroxybutanamide |
|
![9DL 9DL](https://data.pdbj.org/pdbjplus/data/cc/svg/9DL.svg) | 9DL | Name: | 5-[(2-anilino-2-oxoethyl)(methyl)amino]-N-hydroxypentanamide | Formula: | C14 H21 N3 O3 | SMILES: | O=C(Nc1ccccc1)CN(C)CCCCC(=O)NO | InChi: | InChI=1S/C14H21N3O3/c1-17(10-6-5-9-13(18)16-20)11-14(19)15-12-7-3-2-4-8-12/h2-4,7-8,20H,5-6,9-11H2,1H3,(H,15,19)(H,16,18) | Definition date: | 2021-10-06 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | 5-[(2-anilino-2-oxoethyl)(methyl)amino]-N-hydroxypentanamide |
|
![8ZI 8ZI](https://data.pdbj.org/pdbjplus/data/cc/svg/8ZI.svg) | 8ZI | Name: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(3,3-dimethylbutanoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide | Formula: | C28 H47 N5 O6 | SMILES: | CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(N)=O)N(CC21)C(=O)C(NC(=O)CC(C)(C)C)C(C)(C)C | InChi: | InChI=1S/C28H47N5O6/c1-26(2,3)12-17(34)32-21(27(4,5)6)25(39)33-13-15-18(28(15,7)8)19(33)24(38)31-16(20(35)22(29)36)11-14-9-10-30-23(14)37/h14-16,18-21,35H,9-13H2,1-8H3,(H2,29,36)(H,30,37)(H,31,38)(H,32,34)/t14-,15-,16-,18-,19-,20+,21+/m0/s1 | Definition date: | 2021-10-04 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(3,3-dimethylbutanoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide |
|
![90H 90H](https://data.pdbj.org/pdbjplus/data/cc/svg/90H.svg) | 90H | Name: | (1R,2S,5S)-N-{(2S,3R)-3-hydroxy-4-(methylamino)-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide | Formula: | C25 H38 F3 N5 O6 | SMILES: | CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(=O)NC)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C | InChi: | InChI=1S/C25H38F3N5O6/c1-23(2,3)17(32-22(39)25(26,27)28)21(38)33-10-12-14(24(12,4)5)15(33)19(36)31-13(16(34)20(37)29-6)9-11-7-8-30-18(11)35/h11-17,34H,7-10H2,1-6H3,(H,29,37)(H,30,35)(H,31,36)(H,32,39)/t11-,12-,13-,14-,15-,16+,17+/m0/s1 | Definition date: | 2021-10-04 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | (1R,2S,5S)-N-{(2S,3R)-3-hydroxy-4-(methylamino)-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide |
|
![90U 90U](https://data.pdbj.org/pdbjplus/data/cc/svg/90U.svg) | 90U | Name: | benzyl (1R,2S,5S)-2-({(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate | Formula: | C24 H32 N4 O6 | SMILES: | NC(=O)C(O)C(CC1CCNC1=O)NC(=O)C1C2C(CN1C(=O)OCc1ccccc1)C2(C)C | InChi: | InChI=1S/C24H32N4O6/c1-24(2)15-11-28(23(33)34-12-13-6-4-3-5-7-13)18(17(15)24)22(32)27-16(19(29)20(25)30)10-14-8-9-26-21(14)31/h3-7,14-19,29H,8-12H2,1-2H3,(H2,25,30)(H,26,31)(H,27,32)/t14-,15-,16-,17-,18-,19+/m0/s1 | Definition date: | 2021-10-04 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | benzyl (1R,2S,5S)-2-({(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate |
|