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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O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1 -
(3S,4aS,8aS)-2-[(2R,3R)-2-Hydroxy-3-(3-hydroxy-2-methyl-benzoylamino)-4-phenylsulfanyl-butyl]-decahydro-isoquinoline-3-carboxylic acid tert-butylamide; compound with methanesulfonic acid CAS 159989-64-7 PubChem CID 64143
Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C -
(2S)-2-azanyl-5-[[(2R)-3-[[(2R)-2-[[(4S)-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-(2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]disulfanyl]-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid CAS 27025-41-8 PubChem CID 65359
N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O -
CC[C@@H](C(=O)O)[C@@H]1O[C@@H]([C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]2O[C@]3(C=C[C@@H](O)[C@]4(CC[C@@](C)([C@H]5CC[C@](O)(CC)[C@H](C)O5)O4)O3)[C@H](C)C[C@@H]2C)[C@@H](C)C[C@@H]1C -
(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[2-[[2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid CAS 107489-37-2 PubChem CID 65901
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)[C@@H](N)CC(C)C)C(=O)O -
(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4-diol CAS 4696-76-8 PubChem CID 71201
NC[C@H]1O[C@H](O[C@H]2[C@H](O)C(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](N)[C@@H](O)[C@@H]1O -
(2r,3r,4s,5s,6s)-5-amino-2-{[(2r,3s,4r,4ar,7r,8as)-7-amino-6-{[(1r,2r,3s,4r,6s)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-4-hydroxy-3-(methylamino)octahydropyrano[3,2-b]pyran-2-yl]oxy}-6-(hydroxymethyl)tetrahydro-2h-pyran-3,4-diol(non-preferred name) CAS 67922-26-3 PubChem CID 71428
CN[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@@H](N)[C@H](O)[C@H]2O)O[C@H]2C[C@@H](N)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](N)C[C@@H]3N)O[C@@H]2[C@@H]1O -
COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1OC -
N-[1-Deoxy-3,4:5,6-bis-O-(1-methylethylidene)-D-glucitol-1-yl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamine 2-propen-1-yl ester CAS 49557-75-7 PubChem CID 73587
NCCCC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN)C(=O)O -
1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, 5-oxide, [3aS-(3aa,4ss,5a,6aa)]-; Biotin, 5-oxide, (+)- (8CI); Biotin, D-S-oxide (6CI); (+)-Biotin (+)-sulfoxide; Biotin (+)-sulfoxide; Biotin d-sulfoxide; D-Biotin-d-sulfoxide CAS 3376-83-8 PubChem CID 83833
O=C(O)CCCC[C@H]1[C@H]2NC(=O)N[C@H]2CS1=O -
(2S,3S,4S,5R)-3,4-Dihydroxy-2-(hydroxymethyl)-5-((phosphonooxy)methyl)tetrahydrofuran-2-yl dihydrogen phosphate CAS 79082-92-1 PubChem CID 105021
O=P(O)(O)OC[C@H]1O[C@@](CO)(OP(=O)(O)O)[C@@H](O)[C@@H]1O -
(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide CAS 77133-61-0 PubChem CID 115085
CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(N)=O -
Spiro(benzofuran-2(3H),1'(2'H)-naphthalene)-5-carboxaldehyde, 3',4',4'a,5',6',7',8',8'a-octahydro-4,6'-dihydroxy-6-(hydroxymethyl)-2',5',5',8'a-tetramethyl- CAS 134313-74-9 PubChem CID 122853
CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(cc(CO)c(C=O)c1O)O2 -
(3S)-3-[[(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-4-[[(2S)-1-[[(2S)-4-amino-1-[[2-[[2-[[2-[[(2S)-1-(carboxymethylamino)-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid CAS 76901-59-2 PubChem CID 123688
CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H](C(=O)NCC(=O)O)C(C)C -
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O -
(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoic acid CAS 57966-42-4 PubChem CID 123786
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)[C@@H](C)O -
(3S,8S,11S,13R,16R,17S,18S)-13,16,17,18-tetrahydroxy-19-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-11-methyl-5,10-dioxo-12,14-dioxa-4,9-diaza-13-phosphanonadecane-1,3,8-tricarboxylic acid 13-oxide (non-preferred name) CAS 64885-97-8 PubChem CID 123996
C[C@H](OP(=O)(O)OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2cc(=O)ccc-2cc2c(=O)[nH]c(=O)[nH]c21)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O -
Hexadecanoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,3-bis(hydroxymethyl)-1,6,8-trimethyl-5-oxo-1H-cyclopropal(3,4)benz(1,2-e)azulen-9-yl ester CAS 53202-98-5 PubChem CID 124127
CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@H]23)[C@H]2C1(OC(C)=O)[C@]2(C)CO -
2-[[4-[2-[[5-[7-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2,4-dioxopyrimido[4,5-b]quinolin-10-yl]-2,3,4-trihydroxypentoxy]-hydroxyphosphoryl]oxypropanoylamino]-5-hydroxy-5-oxopentanoyl]amino]pentanedioic acid CAS 95617-07-5 PubChem CID 125615
CC(OP(=O)(O)OCC(O)C(O)C(O)Cn1c2nc(=O)[nH]c(=O)c-2cc2cc(OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)ccc21)C(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O -
CC(C)C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)O