Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
OAY
OAY
表記:3-(cyclopropylmethyl)-6-[(5-cyclopropyl-2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-1,5-dimethyl-quinazoline-2,4-dione
組成式:C22 H24 N4 O4
SMILES:CN1NC(=C(C1=O)C(=O)c2ccc3N(C)C(=O)N(CC4CC4)C(=O)c3c2C)C5CC5
InChi:InChI=1S/C22H24N4O4/c1-11-14(19(27)17-18(13-6-7-13)23-25(3)20(17)28)8-9-15-16(11)21(29)26(10-12-4-5-12)22(30)24(15)2/h8-9,12-13,23H,4-7,10H2,1-3H3
定義日:2023-01-27
最終更新日:2023-12-15
公開日:2023-12-20
識別子（ID）:3-(cyclopropylmethyl)-6-[(5-cyclopropyl-2-methyl-3-oxidanylidene-1~{H}-pyrazol-4-yl)carbonyl]-1,5-dimethyl-quinazoline-2,4-dione
T8H
T8H
表記:3-cyclopentyl-1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione
組成式:C22 H24 N2 O5
SMILES:CN1C(=O)N(C2CCCC2)C(=O)c3c(C)c(ccc13)C(=O)C4=C(O)CCCC4=O
InChi:InChI=1S/C22H24N2O5/c1-12-14(20(27)19-16(25)8-5-9-17(19)26)10-11-15-18(12)21(28)24(22(29)23(15)2)13-6-3-4-7-13/h10-11,13,25H,3-9H2,1-2H3
定義日:2023-04-20
最終更新日:2023-12-15
公開日:2023-12-20
識別子（ID）:3-cyclopentyl-1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione
NW9
NW9
表記:6-[(R)-[(2R,6R)-2,6-bis(oxidanyl)cyclohexyl]-oxidanyl-methyl]-3-(furan-2-ylmethyl)-1,5-dimethyl-quinazoline-2,4-dione
組成式:C22 H26 N2 O6
SMILES:CN1C(=O)N(Cc2occc2)C(=O)c3c(C)c(ccc13)[CH](O)C4[CH](O)CCC[CH]4O
InChi:InChI=1S/C22H26N2O6/c1-12-14(20(27)19-16(25)6-3-7-17(19)26)8-9-15-18(12)21(28)24(22(29)23(15)2)11-13-5-4-10-30-13/h4-5,8-10,16-17,19-20,25-27H,3,6-7,11H2,1-2H3/t16-,17-,20+/m1/s1
定義日:2023-01-19
最終更新日:2023-12-15
公開日:2023-12-20
識別子（ID）:6-[(~{R})-[(2~{R},6~{R})-2,6-bis(oxidanyl)cyclohexyl]-oxidanyl-methyl]-3-(furan-2-ylmethyl)-1,5-dimethyl-quinazoline-2,4-dione
T8U
T8U
表記:3-[(4-fluorophenyl)methyl]-1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione
組成式:C24 H21 F N2 O5
SMILES:CN1C(=O)N(Cc2ccc(F)cc2)C(=O)c3c(C)c(ccc13)C(=O)C4=C(O)CCCC4=O
InChi:InChI=1S/C24H21FN2O5/c1-13-16(22(30)21-18(28)4-3-5-19(21)29)10-11-17-20(13)23(31)27(24(32)26(17)2)12-14-6-8-15(25)9-7-14/h6-11,28H,3-5,12H2,1-2H3
定義日:2023-04-20
最終更新日:2023-12-15
公開日:2023-12-20
識別子（ID）:3-[(4-fluorophenyl)methyl]-1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione
XOI
XOI
表記:1-[(5M,8aS,13R)-5-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-2-{[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy}-8a,9,11,12-tetrahydropyrazino[2',1':3,4][1,4]oxazepino[5,6,7-de]quinazolin-10(8H)-yl]prop-2-en-1-one
組成式:C29 H30 Cl F4 N7 O3
SMILES:FC(F)(F)c1c(C)cc(N)nc1c1cc2nc(OCC3CC(F)CN3C)nc3N4CCN(CC4COc(c32)c1Cl)C(=O)C=C
InChi:InChI=1S/C29H30ClF4N7O3/c1-4-21(42)40-5-6-41-17(11-40)13-43-26-22-19(36-28(38-27(22)41)44-12-16-8-15(31)10-39(16)3)9-18(24(26)30)25-23(29(32,33)34)14(2)7-20(35)37-25/h4,7,9,15-17H,1,5-6,8,10-13H2,2-3H3,(H2,35,37)/t15-,16+,17+/m1/s1
定義日:2023-11-06
最終更新日:2023-12-15
公開日:2023-12-20
識別子（ID）:1-[(5M,8aS,13R)-5-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-2-{[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy}-8a,9,11,12-tetrahydropyrazino[2',1':3,4][1,4]oxazepino[5,6,7-de]quinazolin-10(8H)-yl]prop-2-en-1-one
NN0
NN0
表記:6-chloranyl-3-cyclopentyl-1-methyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexa-1,3-dien-1-yl)carbonyl-quinazoline-2,4-dione
組成式:C21 H19 Cl N2 O5
SMILES:CN1C(=O)N(C2CCCC2)C(=O)c3cc(Cl)c(cc13)C(=O)C4=C(O)C=CCC4=O
InChi:InChI=1S/C21H19ClN2O5/c1-23-15-10-12(19(27)18-16(25)7-4-8-17(18)26)14(22)9-13(15)20(28)24(21(23)29)11-5-2-3-6-11/h4,7,9-11,25H,2-3,5-6,8H2,1H3
定義日:2023-01-17
最終更新日:2023-12-15
公開日:2023-12-20
識別子（ID）:6-chloranyl-3-cyclopentyl-1-methyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexa-1,3-dien-1-yl)carbonyl-quinazoline-2,4-dione
XQ6
XQ6
表記:(2E)-1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(4R,7aS)-2-methylidenetetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)prop-2-en-1-one
組成式:C41 H43 Cl F4 N8 O2
SMILES:FC(F)(F)c1c(C)cc(N)nc1c1c(F)c2nc(nc(N3CCN(CC3C)C(=O)/C=C/c3cccc4CCNCc43)c2cc1Cl)OCC12CC(=C)CN2CCC1
InChi:InChI=1S/C41H43ClF4N8O2/c1-23-18-40(11-5-13-53(40)20-23)22-56-39-50-36-28(17-30(42)33(35(36)43)37-34(41(44,45)46)24(2)16-31(47)49-37)38(51-39)54-15-14-52(21-25(54)3)32(55)9-8-26-6-4-7-27-10-12-48-19-29(26)27/h4,6-9,16-17,25,48H,1,5,10-15,18-22H2,2-3H3,(H2,47,49)/b9-8+/t25-,40-/m0/s1
定義日:2023-11-08
最終更新日:2023-12-15
公開日:2023-12-20
識別子（ID）:(2E)-1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(4R,7aS)-2-methylidenetetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)prop-2-en-1-one
O36
O36
表記:1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-prop-2-ynyl-quinazoline-2,4-dione
組成式:C20 H18 N2 O5
SMILES:CN1C(=O)N(CC#C)C(=O)c2c(C)c(ccc12)C(=O)C3=C(O)CCCC3=O
InChi:InChI=1S/C20H18N2O5/c1-4-10-22-19(26)16-11(2)12(8-9-13(16)21(3)20(22)27)18(25)17-14(23)6-5-7-15(17)24/h1,8-9,23H,5-7,10H2,2-3H3
定義日:2023-01-20
最終更新日:2023-12-15
公開日:2023-12-20
識別子（ID）:1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-prop-2-ynyl-quinazoline-2,4-dione
YRE
YRE
表記:(7S,10S,13S)-N-cyclopentyl-10-[2-(morpholin-4-yl)ethyl]-9,12-dioxo-13-(2-oxopyrrolidin-1-yl)-2-oxa-8,11-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-7-carboxamide
組成式:C32 H47 N5 O6
SMILES:O=C1CCCN1C1Cc2cccc(OCCCCC(NC(=O)C(CCN3CCOCC3)NC1=O)C(=O)NC1CCCC1)c2
InChi:InChI=1S/C32H47N5O6/c38-29-12-6-14-37(29)28-22-23-7-5-10-25(21-23)43-18-4-3-11-26(30(39)33-24-8-1-2-9-24)34-31(40)27(35-32(28)41)13-15-36-16-19-42-20-17-36/h5,7,10,21,24,26-28H,1-4,6,8-9,11-20,22H2,(H,33,39)(H,34,40)(H,35,41)/t26-,27-,28-/m0/s1
定義日:2023-02-16
最終更新日:2023-12-15
公開日:2023-12-20
識別子（ID）:(7S,10S,13S)-N-cyclopentyl-10-[2-(morpholin-4-yl)ethyl]-9,12-dioxo-13-(2-oxopyrrolidin-1-yl)-2-oxa-8,11-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-7-carboxamide
NQC
NQC
表記:3-[2-(3-chlorophenyl)ethyl]-1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexa-1,3-dien-1-yl)carbonyl-quinazoline-2,4-dione
組成式:C25 H21 Cl N2 O5
SMILES:CN1C(=O)N(CCc2cccc(Cl)c2)C(=O)c3c(C)c(ccc13)C(=O)C4=C(O)C=CCC4=O
InChi:InChI=1S/C25H21ClN2O5/c1-14-17(23(31)22-19(29)7-4-8-20(22)30)9-10-18-21(14)24(32)28(25(33)27(18)2)12-11-15-5-3-6-16(26)13-15/h3-7,9-10,13,29H,8,11-12H2,1-2H3
定義日:2023-01-17
最終更新日:2023-12-15
公開日:2023-12-20
識別子（ID）:3-[2-(3-chlorophenyl)ethyl]-1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexa-1,3-dien-1-yl)carbonyl-quinazoline-2,4-dione
T2I
T2I
表記:1,5-dimethyl-3-(naphthalen-1-ylmethyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione
組成式:C28 H24 N2 O5
SMILES:CN1C(=O)N(Cc2cccc3ccccc23)C(=O)c4c(C)c(ccc14)C(=O)C5=C(O)CCCC5=O
InChi:InChI=1S/C28H24N2O5/c1-16-19(26(33)25-22(31)11-6-12-23(25)32)13-14-21-24(16)27(34)30(28(35)29(21)2)15-18-9-5-8-17-7-3-4-10-20(17)18/h3-5,7-10,13-14,31H,6,11-12,15H2,1-2H3
定義日:2023-04-19
最終更新日:2023-12-15
公開日:2023-12-20
識別子（ID）:1,5-dimethyl-3-(naphthalen-1-ylmethyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione
J6U
J6U
表記:2-[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]-N-[(1R)-2-(3,5-difluorophenyl)-1-{3-[4-(morpholine-4-sulfonyl)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}ethyl]acetamide
組成式:C38 H37 F2 N7 O8 S2
SMILES:O=S(=O)(N1CCOCC1)c1ccc(cc1)N1C(=Nc2ccccc2C1=O)C(Cc1cc(F)cc(F)c1)NC(=O)CN1CCN(CC1=O)S(=O)(=O)c1ccc(N)cc1
InChi:InChI=1S/C38H37F2N7O8S2/c39-26-19-25(20-27(40)22-26)21-34(42-35(48)23-44-13-14-46(24-36(44)49)57(53,54)30-9-5-28(41)6-10-30)37-43-33-4-2-1-3-32(33)38(50)47(37)29-7-11-31(12-8-29)56(51,52)45-15-17-55-18-16-45/h1-12,19-20,22,34H,13-18,21,23-24,41H2,(H,42,48)
定義日:2023-08-07
最終更新日:2023-12-15
公開日:2023-12-20
識別子（ID）:2-[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]-N-[(1R)-2-(3,5-difluorophenyl)-1-{3-[4-(morpholine-4-sulfonyl)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}ethyl]acetamide
XDF
XDF
表記:6,8-dimethoxy-2-methylquinolin-4-amine
組成式:C12 H14 N2 O2
SMILES:COc1cc(cc2c(N)cc(C)nc12)OC
InChi:InChI=1S/C12H14N2O2/c1-7-4-10(13)9-5-8(15-2)6-11(16-3)12(9)14-7/h4-6H,1-3H3,(H2,13,14)
定義日:2022-11-11
最終更新日:2023-12-08
公開日:2023-12-13
識別子（ID）:6,8-dimethoxy-2-methylquinolin-4-amine
O7I
O7I
表記:(4M)-2-cyclopentyl-4-(7-ethoxyquinazolin-4-yl)benzoic acid
組成式:C22 H22 N2 O3
SMILES:O=C(O)c1ccc(cc1C1CCCC1)c1ncnc2cc(ccc21)OCC
InChi:InChI=1S/C22H22N2O3/c1-2-27-16-8-10-18-20(12-16)23-13-24-21(18)15-7-9-17(22(25)26)19(11-15)14-5-3-4-6-14/h7-14H,2-6H2,1H3,(H,25,26)
定義日:2023-08-17
最終更新日:2023-12-08
公開日:2023-12-13
識別子（ID）:(4M)-2-cyclopentyl-4-(7-ethoxyquinazolin-4-yl)benzoic acid
V8O
V8O
表記:5-(5-methyl-6-quinolin-5-yl-pyridin-3-yl)thiophene-2-sulfonamide
組成式:C19 H15 N3 O2 S2
SMILES:Cc1cc(cnc1c2cccc3ncccc23)c4sc(cc4)[S](N)(=O)=O
InChi:InChI=1S/C19H15N3O2S2/c1-12-10-13(17-7-8-18(25-17)26(20,23)24)11-22-19(12)15-4-2-6-16-14(15)5-3-9-21-16/h2-11H,1H3,(H2,20,23,24)
定義日:2023-02-27
最終更新日:2023-12-08
公開日:2023-12-13
識別子（ID）:5-(5-methyl-6-quinolin-5-yl-pyridin-3-yl)thiophene-2-sulfonamide
N86
N86
表記:~{N}-quinolin-7-ylprop-2-enamide
組成式:C12 H10 N2 O
SMILES:C=CC(=O)Nc1ccc2cccnc2c1
InChi:InChI=1S/C12H10N2O/c1-2-12(15)14-10-6-5-9-4-3-7-13-11(9)8-10/h2-8H,1H2,(H,14,15)
定義日:2023-01-11
最終更新日:2023-12-08
公開日:2023-12-13
識別子（ID）:~{N}-quinolin-7-ylprop-2-enamide
N9R
N9R
表記:~{N}-[6-(1-methylindol-3-yl)pyrimidin-4-yl]prop-2-enamide
組成式:C16 H14 N4 O
SMILES:Cn1cc(c2cc(NC(=O)C=C)ncn2)c3ccccc13
InChi:InChI=1S/C16H14N4O/c1-3-16(21)19-15-8-13(17-10-18-15)12-9-20(2)14-7-5-4-6-11(12)14/h3-10H,1H2,2H3,(H,17,18,19,21)
定義日:2023-01-11
最終更新日:2023-12-08
公開日:2023-12-13
識別子（ID）:~{N}-[6-(1-methylindol-3-yl)pyrimidin-4-yl]prop-2-enamide
VOO
VOO
表記:2-[[5-fluoranyl-7-(methylamino)-1H-indol-2-yl]carbonyl]-N-(2-pyrrol-1-ylethyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide
組成式:C26 H26 F N5 O2
SMILES:CNc1cc(F)cc2cc([nH]c12)C(=O)N3CCc4ccc(cc4C3)C(=O)NCCn5cccc5
InChi:InChI=1S/C26H26FN5O2/c1-28-22-15-21(27)13-19-14-23(30-24(19)22)26(34)32-10-6-17-4-5-18(12-20(17)16-32)25(33)29-7-11-31-8-2-3-9-31/h2-5,8-9,12-15,28,30H,6-7,10-11,16H2,1H3,(H,29,33)
定義日:2023-08-02
最終更新日:2023-12-01
公開日:2023-12-06
識別子（ID）:2-[[5-fluoranyl-7-(methylamino)-1~{H}-indol-2-yl]carbonyl]-~{N}-(2-pyrrol-1-ylethyl)-3,4-dihydro-1~{H}-isoquinoline-7-carboxamide
Y4I
Y4I
表記:1-[(2~{R},4~{S},5~{R})-5-[[[(2~{R},6~{S})-2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-(hydroxymethyl)morpholin-4-yl]-oxidanyl-phosphinothioyl]oxymethyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
組成式:C19 H26 N5 O10 P S
SMILES:CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=S)N3C[CH](CO)O[CH](C3)N4C=CC(=O)NC4=O)O2)C(=O)NC1=O
InChi:InChI=1S/C19H26N5O10PS/c1-10-5-24(19(30)21-17(10)28)15-4-12(26)13(34-15)9-32-35(31,36)22-6-11(8-25)33-16(7-22)23-3-2-14(27)20-18(23)29/h2-3,5,11-13,15-16,25-26H,4,6-9H2,1H3,(H,31,36)(H,20,27,29)(H,21,28,30)/t11-,12-,13+,15+,16+,35-/m0/s1
定義日:2023-11-20
最終更新日:2023-12-01
公開日:2023-12-06
識別子（ID）:1-[(2~{R},4~{S},5~{R})-5-[[[(2~{R},6~{S})-2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-(hydroxymethyl)morpholin-4-yl]-oxidanyl-phosphinothioyl]oxymethyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
WB9
WB9
表記:4-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-4-[2-[2-[(1~{R},2~{S},5~{R})-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]ethoxy]ethyl]morpholin-4-ium
組成式:C26 H41 Br N O4
SMILES:COc1cc(Br)c(C[N+]2(CCOCC[CH]3CC[CH]4C[CH]3C4(C)C)CCOCC2)cc1OC
InChi:InChI=1S/C26H41BrNO4/c1-26(2)21-6-5-19(22(26)16-21)7-11-31-12-8-28(9-13-32-14-10-28)18-20-15-24(29-3)25(30-4)17-23(20)27/h15,17,19,21-22H,5-14,16,18H2,1-4H3/q+1/t19-,21+,22+/m0/s1
定義日:2023-09-22
最終更新日:2023-12-01
公開日:2023-12-06
識別子（ID）:4-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-4-[2-[2-[(1~{R},2~{S},5~{R})-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]ethoxy]ethyl]morpholin-4-ium
XT9
XT9
表記:6beta-amino-17-propyl-5alpha,9alpha,13alpha-4,5-epoxymorphinan-3,14-diol
組成式:C19 H26 N2 O3
SMILES:Oc1ccc2CC3N(CCC45C(Oc1c24)C(N)CCC35O)CCC
InChi:InChI=1S/C19H26N2O3/c1-2-8-21-9-7-18-15-11-3-4-13(22)16(15)24-17(18)12(20)5-6-19(18,23)14(21)10-11/h3-4,12,14,17,22-23H,2,5-10,20H2,1H3/t12-,14+,17+,18-,19-/m1/s1
定義日:2022-12-07
最終更新日:2023-12-01
公開日:2023-12-06
識別子（ID）:6beta-amino-17-propyl-5alpha,9alpha,13alpha-4,5-epoxymorphinan-3,14-diol
I9V
I9V
表記:2-[(1-carbamimidamido-4-chloranyl-isoquinolin-7-yl)sulfonylamino]-2-methyl-propanoic acid
組成式:C14 H16 Cl N5 O4 S
SMILES:CC(C)(N[S](=O)(=O)c1ccc2c(Cl)cnc(NC(N)=N)c2c1)C(O)=O
InChi:InChI=1S/C14H16ClN5O4S/c1-14(2,12(21)22)20-25(23,24)7-3-4-8-9(5-7)11(19-13(16)17)18-6-10(8)15/h3-6,20H,1-2H3,(H,21,22)(H4,16,17,18,19)
別名:UK-371804
定義日:2022-06-20
最終更新日:2023-12-01
公開日:2023-12-06
識別子（ID）:2-[(1-carbamimidamido-4-chloranyl-isoquinolin-7-yl)sulfonylamino]-2-methyl-propanoic acid
TJL
TJL
表記:4-(1,2,4-oxadiazol-5-yl)aniline
組成式:C8 H7 N3 O
SMILES:Nc1ccc(cc1)c1ncno1
InChi:InChI=1S/C8H7N3O/c9-7-3-1-6(2-4-7)8-10-5-11-12-8/h1-5H,9H2
定義日:2023-08-28
最終更新日:2023-11-24
公開日:2023-11-29
識別子（ID）:4-(1,2,4-oxadiazol-5-yl)aniline
T8O
T8O
表記:4-[(difluoromethyl)sulfanyl]aniline
組成式:C7 H7 F2 N S
SMILES:FC(F)Sc1ccc(N)cc1
InChi:InChI=1S/C7H7F2NS/c8-7(9)11-6-3-1-5(10)2-4-6/h1-4,7H,10H2
定義日:2023-08-28
最終更新日:2023-11-24
公開日:2023-11-29
識別子（ID）:4-[(difluoromethyl)sulfanyl]aniline
U29
U29
表記:methyl (5S)-1-acetyl-5-methyl-L-prolinate
組成式:C9 H15 N O3
SMILES:CC1CCC(C(=O)OC)N1C(=O)C
InChi:InChI=1S/C9H15NO3/c1-6-4-5-8(9(12)13-3)10(6)7(2)11/h6,8H,4-5H2,1-3H3/t6-,8-/m0/s1
定義日:2023-08-29
最終更新日:2023-11-24
公開日:2023-11-29
識別子（ID）:methyl (5S)-1-acetyl-5-methyl-L-prolinate

223532

件を2024-08-07に公開中

PDB statisticsPDBj update infoContact PDBjnumon