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EH3
EH3
表記:4-[[[5-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-[4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-3-yl]carbonylamino]methyl]cyclohexane-1-carboxylic acid
組成式:C30 H34 Cl N3 O9 S
SMILES:C[S](=O)(=O)N1CCC(CC1)Oc2ccc(cc2)c3c(onc3C(=O)NC[CH]4CC[CH](CC4)C(O)=O)c5cc(Cl)c(O)cc5O
InChi:InChI=1S/C30H34ClN3O9S/c1-44(40,41)34-12-10-21(11-13-34)42-20-8-6-18(7-9-20)26-27(29(37)32-16-17-2-4-19(5-3-17)30(38)39)33-43-28(26)22-14-23(31)25(36)15-24(22)35/h6-9,14-15,17,19,21,35-36H,2-5,10-13,16H2,1H3,(H,32,37)(H,38,39)/t17-,19+
定義日:2019-12-20
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:4-[[[5-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-[4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-3-yl]carbonylamino]methyl]cyclohexane-1-carboxylic acid
N78
N78
表記:~{N}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethyloxy)phenyl]propanamide
組成式:C32 H28 N6 O5
SMILES:CCC(=O)Nc1cc(ccc1OCCO)c2c[nH]c3ncnc(Nc4ccc(CN5C(=O)c6ccccc6C5=O)cc4)c23
InChi:InChI=1S/C32H28N6O5/c1-2-27(40)37-25-15-20(9-12-26(25)43-14-13-39)24-16-33-29-28(24)30(35-18-34-29)36-21-10-7-19(8-11-21)17-38-31(41)22-5-3-4-6-23(22)32(38)42/h3-12,15-16,18,39H,2,13-14,17H2,1H3,(H,37,40)(H2,33,34,35,36)
定義日:2019-11-14
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:~{N}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethyloxy)phenyl]propanamide
N7B
N7B
表記:~{N}-[2-(2-hydroxyethyloxy)-5-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide
組成式:C31 H29 N7 O3
SMILES:CCC(=O)Nc1cc(ccc1OCCO)c2c[nH]c3ncnc(Nc4ccc5n(Cc6ccccc6)ncc5c4)c23
InChi:InChI=1S/C31H29N7O3/c1-2-28(40)37-25-15-21(8-11-27(25)41-13-12-39)24-17-32-30-29(24)31(34-19-33-30)36-23-9-10-26-22(14-23)16-35-38(26)18-20-6-4-3-5-7-20/h3-11,14-17,19,39H,2,12-13,18H2,1H3,(H,37,40)(H2,32,33,34,36)
定義日:2019-11-14
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:~{N}-[2-(2-hydroxyethyloxy)-5-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide
N7K
N7K
表記:~{N}-[3-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide
組成式:C29 H25 N7 O
SMILES:CCC(=O)Nc1cccc(c1)c2c[nH]c3ncnc(Nc4ccc5n(Cc6ccccc6)ncc5c4)c23
InChi:InChI=1S/C29H25N7O/c1-2-26(37)34-22-10-6-9-20(13-22)24-16-30-28-27(24)29(32-18-31-28)35-23-11-12-25-21(14-23)15-33-36(25)17-19-7-4-3-5-8-19/h3-16,18H,2,17H2,1H3,(H,34,37)(H2,30,31,32,35)
定義日:2019-11-14
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:~{N}-[3-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide
N7Q
N7Q
表記:~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethyloxy)phenyl]propanamide
組成式:C29 H27 Cl N6 O4
SMILES:CCC(=O)Nc1cc(ccc1OCCO)c2c[nH]c3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23
InChi:InChI=1S/C29H27ClN6O4/c1-2-26(38)36-23-13-18(6-8-25(23)39-12-11-37)21-15-32-28-27(21)29(34-17-33-28)35-19-7-9-24(22(30)14-19)40-16-20-5-3-4-10-31-20/h3-10,13-15,17,37H,2,11-12,16H2,1H3,(H,36,38)(H2,32,33,34,35)
定義日:2019-11-14
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethyloxy)phenyl]propanamide
N7W
N7W
表記:~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide
組成式:C31 H32 Cl N7 O3
SMILES:CCC(=O)Nc1cc(ccc1OCCN(C)C)c2c[nH]c3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23
InChi:InChI=1S/C31H32ClN7O3/c1-4-28(40)38-25-15-20(8-10-27(25)41-14-13-39(2)3)23-17-34-30-29(23)31(36-19-35-30)37-21-9-11-26(24(32)16-21)42-18-22-7-5-6-12-33-22/h5-12,15-17,19H,4,13-14,18H2,1-3H3,(H,38,40)(H2,34,35,36,37)
定義日:2019-11-14
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide
N7Z
N7Z
表記:~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(3-oxidanylpropoxy)phenyl]propanamide
組成式:C30 H29 Cl N6 O4
SMILES:CCC(=O)Nc1cc(ccc1OCCCO)c2c[nH]c3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23
InChi:InChI=1S/C30H29ClN6O4/c1-2-27(39)37-24-14-19(7-9-26(24)40-13-5-12-38)22-16-33-29-28(22)30(35-18-34-29)36-20-8-10-25(23(31)15-20)41-17-21-6-3-4-11-32-21/h3-4,6-11,14-16,18,38H,2,5,12-13,17H2,1H3,(H,37,39)(H2,33,34,35,36)
定義日:2019-11-14
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(3-oxidanylpropoxy)phenyl]propanamide
N82
N82
表記:~{N}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide
組成式:C34 H33 N7 O4
SMILES:CCC(=O)Nc1cc(ccc1OCCN(C)C)c2c[nH]c3ncnc(Nc4ccc(CN5C(=O)c6ccccc6C5=O)cc4)c23
InChi:InChI=1S/C34H33N7O4/c1-4-29(42)39-27-17-22(11-14-28(27)45-16-15-40(2)3)26-18-35-31-30(26)32(37-20-36-31)38-23-12-9-21(10-13-23)19-41-33(43)24-7-5-6-8-25(24)34(41)44/h5-14,17-18,20H,4,15-16,19H2,1-3H3,(H,39,42)(H2,35,36,37,38)
定義日:2019-11-14
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:~{N}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide
OPF
OPF
表記:(2S)-2-[[(2S)-1-heptanoylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid
組成式:C21 H30 N2 O4
SMILES:CCCCCCC(=O)N1CCC[CH]1C(=O)N[CH](Cc2ccccc2)C(O)=O
InChi:InChI=1S/C21H30N2O4/c1-2-3-4-8-13-19(24)23-14-9-12-18(23)20(25)22-17(21(26)27)15-16-10-6-5-7-11-16/h5-7,10-11,17-18H,2-4,8-9,12-15H2,1H3,(H,22,25)(H,26,27)/t17-,18-/m0/s1
別名:N-enanthoyl-L-prolyl-L-phenylalanine
定義日:2019-10-08
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:(2~{S})-2-[[(2~{S})-1-heptanoylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid
LR8
LR8
表記:6-morpholin-4-ylpyridine-3-carboxamide
組成式:C10 H13 N3 O2
SMILES:NC(=O)c1ccc(nc1)N2CCOCC2
InChi:InChI=1S/C10H13N3O2/c11-10(14)8-1-2-9(12-7-8)13-3-5-15-6-4-13/h1-2,7H,3-6H2,(H2,11,14)
定義日:2019-09-03
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:6-morpholin-4-ylpyridine-3-carboxamide
LRT
LRT
表記:5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-amine
組成式:C14 H18 N4 O2 S
SMILES:Nc1nccc2c1cccc2[S](=O)(=O)N3CCCNCC3
InChi:InChI=1S/C14H18N4O2S/c15-14-12-3-1-4-13(11(12)5-7-17-14)21(19,20)18-9-2-6-16-8-10-18/h1,3-5,7,16H,2,6,8-10H2,(H2,15,17)
定義日:2019-09-03
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-amine
LSZ
LSZ
表記:~{N}-[3-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]-5-(1-methylpyrazol-3-yl)phenyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide
組成式:C32 H36 N6 O5
SMILES:CCOc1ccc(cc1NC(=O)c2cc(NC(=O)c3oc(CN4CCN(C)CC4)cc3)cc(c2)c5ccn(C)n5)C(C)=O
InChi:InChI=1S/C32H36N6O5/c1-5-42-29-8-6-22(21(2)39)19-28(29)34-31(40)24-16-23(27-10-11-37(4)35-27)17-25(18-24)33-32(41)30-9-7-26(43-30)20-38-14-12-36(3)13-15-38/h6-11,16-19H,5,12-15,20H2,1-4H3,(H,33,41)(H,34,40)
定義日:2019-09-03
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:~{N}-[3-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]-5-(1-methylpyrazol-3-yl)phenyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide
LTW
LTW
表記:~{N}-[3-[[5-ethanoyl-2-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]phenyl]carbamoyl]-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide
組成式:C31 H31 N5 O6
SMILES:Cn1ccc(n1)c2cc(NC(=O)c3occc3)cc(c2)C(=O)Nc4cc(ccc4OCCN5CC6(COC6)C5)C(C)=O
InChi:InChI=1S/C31H31N5O6/c1-20(37)21-5-6-27(42-11-9-36-16-31(17-36)18-40-19-31)26(15-21)33-29(38)23-12-22(25-7-8-35(2)34-25)13-24(14-23)32-30(39)28-4-3-10-41-28/h3-8,10,12-15H,9,11,16-19H2,1-2H3,(H,32,39)(H,33,38)
定義日:2019-09-04
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:~{N}-[3-[[5-ethanoyl-2-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]phenyl]carbamoyl]-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide
LU5
LU5
表記:~{N}-[3-acetamido-5-[(3-methylcinnolin-5-yl)carbamoyl]phenyl]furan-2-carboxamide
組成式:C23 H19 N5 O4
SMILES:CC(=O)Nc1cc(NC(=O)c2occc2)cc(c1)C(=O)Nc3cccc4nnc(C)cc34
InChi:InChI=1S/C23H19N5O4/c1-13-9-18-19(5-3-6-20(18)28-27-13)26-22(30)15-10-16(24-14(2)29)12-17(11-15)25-23(31)21-7-4-8-32-21/h3-12H,1-2H3,(H,24,29)(H,25,31)(H,26,30)
定義日:2019-09-04
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:~{N}-[3-acetamido-5-[(3-methylcinnolin-5-yl)carbamoyl]phenyl]furan-2-carboxamide
LUE
LUE
表記:~{N}-[4-[5-[(dimethylamino)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-yl]-3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,5-a]pyridin-7-amine
組成式:C22 H24 N10 O
SMILES:CN(C)Cc1cc(nn1C)c2ccnc(Nc3ccn4c(C)nc(c5oc(C)nn5)c4c3)n2
InChi:InChI=1S/C22H24N10O/c1-13-24-20(21-28-27-14(2)33-21)19-10-15(7-9-32(13)19)25-22-23-8-6-17(26-22)18-11-16(12-30(3)4)31(5)29-18/h6-11H,12H2,1-5H3,(H,23,25,26)
定義日:2019-09-06
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:~{N}-[4-[5-[(dimethylamino)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-yl]-3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,5-a]pyridin-7-amine
DZU
DZU
表記:8-[(E)-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline
組成式:C33 H35 N5 O
SMILES:CN1CCN(CCCOc2cccc(c2)n3c(C=Cc4cccc5cccnc45)nc6cc(C)ccc36)CC1
InChi:InChI=1S/C33H35N5O/c1-25-12-14-31-30(23-25)35-32(15-13-27-8-3-7-26-9-5-16-34-33(26)27)38(31)28-10-4-11-29(24-28)39-22-6-17-37-20-18-36(2)19-21-37/h3-5,7-16,23-24H,6,17-22H2,1-2H3/b15-13+
定義日:2019-09-26
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:8-[(~{E})-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline
F6O
F6O
表記:N4-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-N2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine
組成式:C29 H40 N8 O3 S
SMILES:COc1cc(ccc1Nc2ncnc(Nc3ccccc3[S](=O)(=O)C(C)C)n2)N4CCC(CC4)N5CCN(C)CC5
InChi:InChI=1S/C29H40N8O3S/c1-21(2)41(38,39)27-8-6-5-7-25(27)33-29-31-20-30-28(34-29)32-24-10-9-23(19-26(24)40-4)36-13-11-22(12-14-36)37-17-15-35(3)16-18-37/h5-10,19-22H,11-18H2,1-4H3,(H2,30,31,32,33,34)
定義日:2020-04-03
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:~{N}4-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-~{N}2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine
570
570
表記:2-(2-BENZOYL-PHENYLAMINO)-3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID
組成式:C34 H30 N2 O5
SMILES:O=C(c1ccccc1)c2ccccc2NC(C(=O)O)Cc5ccc(OCCc3nc(oc3C)c4ccccc4)cc5
InChi:InChI=1S/C34H30N2O5/c1-23-29(36-33(41-23)26-12-6-3-7-13-26)20-21-40-27-18-16-24(17-19-27)22-31(34(38)39)35-30-15-9-8-14-28(30)32(37)25-10-4-2-5-11-25/h2-19,31,35H,20-22H2,1H3,(H,38,39)/t31-/m0/s1
別名:GI262570
定義日:2000-09-08
最終更新日:2020-09-25
識別子（ID）:O-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-N-[2-(phenylcarbonyl)phenyl]-L-tyrosine
PZJ
PZJ
表記:(3R,4R)-4-[4-(2-Chlorophenyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol
組成式:C14 H19 Cl N2 O3 S
SMILES:C1(CS(CC1N3CCN(c2c(cccc2)Cl)CC3)(=O)=O)O
InChi:InChI=1S/C14H19ClN2O3S/c15-11-3-1-2-4-12(11)16-5-7-17(8-6-16)13-9-21(19,20)10-14(13)18/h1-4,13-14,18H,5-10H2/t13-,14-/m0/s1
定義日:2019-08-29
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:(3R,4R)-3-[4-(2-chlorophenyl)piperazin-1-yl]-4-hydroxy-1lambda~6~-thiolane-1,1-dione
PJB
PJB
表記:2-[[[3-(5-methoxy-2-oxidanyl-phenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]amino]methyl]benzoic acid
組成式:C17 H16 N4 O4 S
SMILES:COc1ccc(O)c(c1)C2=NNC(=S)N2NCc3ccccc3C(O)=O
InChi:InChI=1S/C17H16N4O4S/c1-25-11-6-7-14(22)13(8-11)15-19-20-17(26)21(15)18-9-10-4-2-3-5-12(10)16(23)24/h2-8,18,22H,9H2,1H3,(H,20,26)(H,23,24)
定義日:2020-04-21
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:2-[[[3-(5-methoxy-2-oxidanyl-phenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]amino]methyl]benzoic acid
PUJ
PUJ
表記:(1E,3S)-1-{10-[2-carboxy-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-7-(3-fluoroazetidin-1-yl)-5,5-dimethyldibenz o[b,e]silin-3(5H)-ylidene}-3-fluoroazetidin-1-ium
組成式:C39 H48 F2 N3 O5 Si
SMILES:c15c(ccc(c1)N2CC(F)C2)C(c3c(ccc(c3)C(NCCOCCOCCCCCC)=O)C(O)=O)=C6C=CC(=[N+]4/CC(F)C4)C=C6[Si]5(C)C
InChi:InChI=1S/C39H47F2N3O5Si/c1-4-5-6-7-15-48-17-18-49-16-14-42-38(45)26-8-11-31(39(46)47)34(19-26)37-32-12-9-29(43-22-27(40)23-43)20-35(32)50(2,3)36-21-30(10-13-33(36)37)44-24-28(41)25-44/h8-13,19-21,27-28H,4-7,14-18,22-25H2,1-3H3,(H-,42,45,46,47)/p+1
別名:JF635
定義日:2019-08-23
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:(1E,3S)-1-{10-[2-carboxy-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-7-(3-fluoroazetidin-1-yl)-5,5-dimethyldibenzo[b,e]silin-3(5H)-ylidene}-3-fluoroazetidin-1-ium
PVY
PVY
表記:9-[2-carboxy-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium
組成式:C35 H44 N3 O6
SMILES:CCCCCCOCCOCCNC(c1cc(c(cc1)C(O)=O)C3=C2C(=CC(/C=C2)=[N+](C)C)Oc4cc(ccc34)N(C)C)=O
InChi:InChI=1S/C35H43N3O6/c1-6-7-8-9-17-42-19-20-43-18-16-36-34(39)24-10-13-27(35(40)41)30(21-24)33-28-14-11-25(37(2)3)22-31(28)44-32-23-26(38(4)5)12-15-29(32)33/h10-15,21-23H,6-9,16-20H2,1-5H3,(H-,36,39,40,41)/p+1
定義日:2019-08-26
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:9-[2-carboxy-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium
T0D
T0D
表記:(2~{S})-~{N}-[(1~{R})-1-[bis($l^{1}-oxidanyl)-methoxy-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[[2-(3-chlorophenyl)-2-methyl-propoxy]-oxidanylidene-methyl]amino]-4-methyl-pentanamide
組成式:C26 H38 Cl N3 O9 S
SMILES:CC(COC(=O)NC(CC(C)C)C(NC(C(OC(C)=O)S(=O)(=O)O)CC1CCNC1=O)=O)(C)c2cc(ccc2)Cl
InChi:InChI=1S/C26H38ClN3O9S/c1-15(2)11-20(30-25(34)38-14-26(4,5)18-7-6-8-19(27)13-18)23(33)29-21(12-17-9-10-28-22(17)32)24(39-16(3)31)40(35,36)37/h6-8,13,15,17,20-21,24H,9-12,14H2,1-5H3,(H,28,32)(H,29,33)(H,30,34)(H,35,36,37)/t17-,20-,21-,24+/m0/s1
定義日:2020-03-16
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:(1R,2S)-1-(acetyloxy)-2-[(N-{[2-(3-chlorophenyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
TKP
TKP
表記:2-(3-chlorophenyl)-2-methylpropyl [(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate
組成式:C27 H40 Cl N3 O5
SMILES:CC(C)(COC(=O)NC(CC1CCCCC1)C(NC(CC2C(=O)NCC2)CO)=O)c3cc(ccc3)Cl
InChi:InChI=1S/C27H40ClN3O5/c1-27(2,20-9-6-10-21(28)15-20)17-36-26(35)31-23(13-18-7-4-3-5-8-18)25(34)30-22(16-32)14-19-11-12-29-24(19)33/h6,9-10,15,18-19,22-23,32H,3-5,7-8,11-14,16-17H2,1-2H3,(H,29,33)(H,30,34)(H,31,35)/t19-,22-,23-/m0/s1
定義日:2020-03-24
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:2-(3-chlorophenyl)-2-methylpropyl [(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate
TKS
TKS
表記:2-(3-chlorophenyl)-2-methylpropyl [(2S)-3-cyclohexyl-1-({(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}amino)-1-oxopropan-2-yl]carbamate
組成式:C27 H40 Cl N3 O5 S
SMILES:C1C(CCCC1)CC(C(NC(C(S)O)CC2C(=O)NCC2)=O)NC(=O)OCC(C)(C)c3cc(Cl)ccc3
InChi:InChI=1S/C27H40ClN3O5S/c1-27(2,19-9-6-10-20(28)15-19)16-36-26(35)31-21(13-17-7-4-3-5-8-17)24(33)30-22(25(34)37)14-18-11-12-29-23(18)32/h6,9-10,15,17-18,21-22,25,34,37H,3-5,7-8,11-14,16H2,1-2H3,(H,29,32)(H,30,33)(H,31,35)/t18-,21-,22-,25+/m0/s1
定義日:2020-03-24
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:2-(3-chlorophenyl)-2-methylpropyl [(2S)-3-cyclohexyl-1-({(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}amino)-1-oxopropan-2-yl]carbamate

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件を2024-07-17に公開中

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