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。
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N[C@@H](CC1=CCC=CC1)C(=O)O -
Acetic acid, hydroxy-, 6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl ester, (3aS-(3aalpha,4beta,5alpha,6alpha,8beta,9alpha,9abeta,10S*))- CAS 125-65-5 PubChem CID 442076
C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)C(C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O -
(1S)-1alpha-Methyl-5,10-dioxo-9-hydroxy-3,4,5,10-tetrahydro-1H-naphtho[2,3-c]pyran-3beta-acetic acid CAS 52934-83-5 PubChem CID 442757
C[C@@H]1O[C@@H](CC(=O)O)CC2=C1C(=O)c1c(O)cccc1C2=O -
Carminomycin I|||(8S,10S)-8-acetyl-10-(((2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-1,6,8,11-tetrahydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione CAS 50935-04-1 PubChem CID 443831
CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(O)cccc1C3=O -
CN[C@H]1C[C@@H](N)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)C(O)[C@@H]3O[C@@]4(O[C@@H]([C@@H](N)CO)[C@H](O)[C@@H](O)[C@H]4O)O[C@@H]23)[C@@H]1O -
NONANOIC ACID, 9-((3-METHYL-1-OXO-4-(TETRAHYDRO-3,4-DIHYDROXY-5-((3-(2-HYDROXY-1-METHYLPROPYL)OXIRANYL)METHYL)-2H-PYRAN-2-YL)-2-BUTENYL)OXY)-, (2S-(2.ALPHA.(E),3.BETA.,4.BETA.,5.ALPHA.(2R*,3R*(1R*,2R*))))- CAS 12650-69-0 PubChem CID 446596
C/C(=C\C(=O)OCCCCCCCCC(=O)O)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O -
2-Propenamide, N-[1-(hydroxymethyl)-2-[[(methylthio)methyl]sulfinyl]ethyl]-3-(1,2,3,4-tetrahydro-6-methyl-2,4-dioxo-5-pyrimidinyl)-, [R-[R*,S*-(E)]]- CAS 1404-64-4 PubChem CID 447106
CSCS(=O)C[C@H](CO)NC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O -
(2R,3S,4S,6S)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14(28),15(19),20(27),21(26),22,24-nonaen-16-one CAS 160335-45-5 PubChem CID 451705
CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 -
hexyl (15R,16S,18S)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1^{15,18}.0^{2,6}.0^{7,27}.0^{8,13}.0^{19,26}.0^{20,25}]octacosa-1(26),2(6),7(27),8(13),9,11,20(25),21,23-nonaene-16-carboxylate CAS 108068-98-0 PubChem CID 454202
CCCCCCOC(=O)[C@]1(O)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 -
D-Glycero-.alpha.-L-talo-Decofuranuronic acid, 6,9-diamino-1-(6-amino-9H-purin-9-yl)-1,5,6,7,8,9-hexadeoxy- CAS 58944-73-3 PubChem CID 456189
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CC(N)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O -
1-(2,3-dimethyl-2-(2-methylbut-3-en-2-yl)-2,3-dihydrofuran-3-yl)-3,5-dihydroxy-4-methoxyhexan-2-one CAS 68072-84-4 PubChem CID 456854
C=CC(C)(C)C1(C)OC=CC1(C)CC(=O)C(O)C(OC)C(C)O -
CO[C@H](C(=O)[C@@H](O)[C@@H](C)O)[C@@H]1Cc2cc3cc(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@@H](O)[C@@H](C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@H]1C[C@@H](O[C@H]2C[C@@H](O[C@H]3C[C@](C)(O)[C@H](O)[C@@H](C)O3)[C@H](O)[C@@H](C)O2)[C@H](O)[C@@H](C)O1 -
CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@@](C)(O)C(O)[C@H](C)O2)[C@H](C)[C@@H](OC2OC(C)C[C@H](N(C)C)C2O)[C@](C)(OC2CC(N(C)C)C(O)C(C)O2)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O -
6-((1R)-1-Methylpropyl)-12-((1S)-1-hydroxyethyl)(3S,6S,9R,12R,18R,19R)-18-hexyl-9-(hydroxymethyl)-2,19-dimethyl-3-(2-methylpropyl)-17-oxa-2,5,8,11,14-pentaazacyclononadecane-1,4,7,10,13,16-hexaone CAS 67076-74-8 PubChem CID 508500
CCCCCC[C@H]1OC(=O)CNC(=O)[C@@H]([C@H](C)O)NC(=O)[C@@H](CO)NC(=O)[C@H]([C@H](C)CC)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H]1C -
(2~{R},3~{R},4~{R},5~{R})-2-[(1~{S},2~{S},3~{R},4~{S},6~{R})-3-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(aminomethyl)-3-azany l-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,6-bis(azanyl)-2-oxidanyl-cyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol CAS 51846-97-0 PubChem CID 512870
CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O -
CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H]([C@H](C)N)[C@@H](O)[C@H](O)[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O -
(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(1-hydroxyethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol CAS 108321-42-2 PubChem CID 2733531
CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](C(C)O)[C@@H](O)[C@H](O)[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O -
(3S,6S,9R,12R,15S,18S,21R,24R,27S,30S,33R,36R)-6,18,30-trimethyl-3,9,12,15,21,24,27,33,36-nonakis(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexaazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone CAS 2001-95-8 PubChem CID 3000706
CC(C)[C@@H]1NC(=O)[C@H](C)OC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](C)OC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](C)OC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)OC1=O -
2-amino-4-[4-[1-amino-2-[[1-[2-hydroxy-1-(4-hydroxyphenyl)-2-oxoethyl]-2-oxoazetidin-3-yl]amino]-2-oxoethyl]phenoxy]butanoic acid CAS 59511-12-5 PubChem CID 3042313
NC(CCOc1ccc(C(N)C(=O)NC2CN(C(C(=O)O)c3ccc(O)cc3)C2=O)cc1)C(=O)O -
(2R)-2-amino-4-[4-[2-[[(3S)-1-[(1R)-2-hydroxy-1-(4-hydroxyphenyl)-2-oxoethyl]-2-oxoazetidin-3-yl]amino]-2-oxoacetyl]phenoxy]butanoic acid CAS 61425-17-0 PubChem CID 3045997
N[C@H](CCOc1ccc(C(=O)C(=O)N[C@H]2CN([C@@H](C(=O)O)c3ccc(O)cc3)C2=O)cc1)C(=O)O