Compound Search
化合物数据库
基于 PubChem CID 索引,支持名称 / 同义词 / CAS / SMILES 检索。
-
(2S,3R,4S)-4-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid PubChem CID 49866475
C[C@@H]1[C@H]([C@H](C=O)[C@@H](C)O)N=C(C(=O)O)[C@H]1S[C@@H]1CN[C@H](C(=O)Nc2cccc(C(=O)O)c2)C1 -
(2r,4s)-2-[(1r)-1-{[(2s)-2-Carboxy-2-Phenylacetyl]amino}-2-Oxoethyl]-5,5-Dimethyl-1,3-Thiazolidine-4-Carboxylic Acid PubChem CID 49866761
CC1(C)S[C@H]([C@@H](C=O)NC(=O)[C@@H](C(=O)O)c2ccccc2)N[C@H]1C(=O)O -
(2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid PubChem CID 49866926
C[C@@H]1[C@H]([C@H](C=O)[C@@H](C)O)N=C(C(=O)O)[C@H]1S[C@@H]1CN[C@H](C(=O)N(C)C)C1 -
(2S)-2-(((2S)-4-amino-2-(((3R)-3-hydroxydodecanoyl)amino)-4-oxobutanoyl)amino)-N-((2S)-1-hydroxy-4-methylpentan-2-yl)pentanediamide PubChem CID 49866973
CCCCCCCCC[C@@H](O)CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CO)CC(C)C -
Tert-Butyl {(1s)-2-[(1r,2s,5s)-2-({[(1s)-3-Amino-1-(Cyclobutylmethyl)-2,3-Dioxopropyl]amino}carbonyl)-6,6-Dimethyl-3-Azabicyclo[3.1.0]hex-3-Yl]-1-Cyclohexyl-2-Oxoethyl}carbamate PubChem CID 49867131
CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CCC1)C(=O)C(N)=O)C2(C)C)C1CCCCC1 -
(2S)-({N-[(3S)-3-({N-[(2S,4E)-7-methyl-2-(propan-2-yl)oct-4-enoyl]-L-leucyl}amino)-2-oxohexanoyl]glycyl}amino)(phenyl)ethanoic acid PubChem CID 49867132
CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C/C=C/CC(C)C)C(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)O)c1ccccc1 -
Tert-Butyl {(1s)-2-[(1r,2s,5r)-2-({[(1s)-3-Amino-1-(Cyclobutylmethyl)-2,3-Dioxopropyl]amino}carbonyl)-7,7-Dimethyl-6-Oxa-3-Azabicyclo[3.2.0]hept-3-Yl]-1-Cyclohexyl-2-Oxoethyl}carbamate PubChem CID 49867133
CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2OC(C)(C)[C@@H]2[C@H]1C(=O)N[C@@H](CC1CCC1)C(=O)C(N)=O)C1CCCCC1 -
CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)[C@@H](O)C(=O)NC1CC1 -
C=CC1=C(C)C(/C=c2/[nH]/c(=C\c3[nH]c(/C=C4\NC(=O)[C@@H](C)\C4=C/C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)=NC1=O -
[(1r)-1-Hydroxypropyl]phosphonic Acid PubChem CID 52950093
CC[C@H](O)P(=O)(O)O -
7-Phenyl-1-[5-(Pyridin-2-Yl)-1,3,4-Oxadiazol-2-Yl]heptane-1,1-Diol PubChem CID 53488412
OC(O)(CCCCCCc1ccccc1)c1nnc(-c2ccccn2)o1 -
(2r,3r,4s,5s)-4-Fluoro-3,5-Dihydroxytetrahydrofuran-2-Yl 2-Phenylethyl Hydrogen (S)-Phosphate PubChem CID 54669590
O=P(O)(OCCc1ccccc1)O[C@H]1O[C@H](O)[C@@H](F)[C@@H]1O -
CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)[C@@H](O)C(=O)NC1CC1 -
(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide CAS 1219925-31-1 PubChem CID 60147041
CN(C)CCCC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 -
(2~{z},4~{e})-~{n}-[(~{s})-Oxidanyl-[(1~{s},2~{e},5~{s},11~{r},17~{s},19~{r})-3,11,19-Trimethyl-7,13-Bis(Oxidanylidene)-6,21-Dioxabicyclo[15.3.1]henicos-2-En-5-Yl]methyl]hexa-2,4-Dienamide PubChem CID 70680599
C=C1C[C@@H]2CCCC(=O)C/C(C)=C\C=C\C(=O)O[C@H]([C@H](O)NC(=O)/C=C\C=C\C)C/C(C)=C/[C@H](C1)O2 -
|A-[[(Z)-2-(2-amino-4-thiazolyl)-2-[(carboxymethoxy)imino]acetyl]amino]-2-[(2R)-5-methyl-7-oxo-1,2,5,7-tetrahydro-4H-furo[3,4-d][1,3]thiazin-2-yl]acetic Acid CAS 1335475-08-5 PubChem CID 71314609
C=CC1=C(C(=O)O)N[C@@H]([C@H](NC(=O)/C(=N\OCC(=O)O)c2csc(N)n2)C(=O)O)SC1 -
CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CCC1)[C@@H](O)C(N)=O)C2(C)C)C(C)(C)C -
(1r,2s,5s)-N-[(2s,3r)-4-Amino-1-Cyclobutyl-3-Hydroxy-4-Oxobutan-2-Yl]-6,6-Dimethyl-3-{3-Methyl-N-[(1-Methylcyclohexyl)carbamoyl]-L-Valyl}-3-Azabicyclo[3.1.0]hexane-2-Carboxamide PubChem CID 72200167
CC1(NC(=O)N[C@H](C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N[C@@H](CC2CCC2)[C@@H](O)C(N)=O)C3(C)C)C(C)(C)C)CCCCC1 -
(R)-1-(3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)propan-1-one (Ibrutinib Impurity) CAS 1839099-22-7 PubChem CID 73441661
CCC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 -
(2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid PubChem CID 77232202
C[C@@H](O)[C@@H](C=O)[C@@H]1NC(C(=O)O)=C(S[C@@H]2CN[C@H](C(=O)N(C)C)C2)[C@@H]1C