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。
-
1-octadecanoyl-2-hexadecanoyl-sn-glycero-3-phospho-(1'-myo-inositol-3'-phosphate) PubChem CID 131750487
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCCCCCCCC -
(1R,8S,11R,17S,20R,23S)-23-[(2S)-butan-2-yl]-11-[(1H-imidazol-4-yl)methyl]-20-[(1H-indol-3-yl)methyl]-3,10,13,19,22,25-hexaazatetracyclo[23.4.0.03,8.013,17]nonacosane-2,9,12,18,21,24-hexone CAS 127819-96-9 PubChem CID 9940362
CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O -
1-[(2R)-2-Amino-3-phenylpropanoyl]-N-[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]piperidine-2-carboxamide CAS 115388-96-0 PubChem CID 13020984
NC(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 -
(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]piperidine-2-carboxamide;hydrochloride CAS 160192-34-7 PubChem CID 154573752
Cl.NC(N)=NCCC[C@H](NC(=O)[C@@H]1CCCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 -
acetic acid;(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]piperidine-2-carboxamide CAS 115388-96-0 PubChem CID 155882732
CC(=O)O.NC(N)=NCCC[C@H](NC(=O)[C@@H]1CCCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 -
Piperidine, 1-nitroso-; 1-Nitrosopiperidine; N-Nitrosopiperidine; NPI; NPIP; NSC 138 CAS 100-75-4 PubChem CID 7526
O=NN1CCCCC1 -
CC(C)C1NC(=O)C(N)C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C2CC(=O)CCN2C1=O.CC(C)C1NC(=O)C(N)C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C2CCCCN2C1=O.Cc1c2oc3c(C)ccc(C(=O)O)c3nc-2c(C(=O)O)c(N)c1=O -
N-(1-Methyl-2-aminoethyl)-N-[(tributylstannyl)methyl]carbamic acid tert-butyl ester CAS 1557288-01-3 PubChem CID 91667246
CCCC[Sn](CCCC)(CCCC)CN(C(=O)OC(C)(C)C)C(C)CN -
1-Piperazinecarboxamide, 4-methyl-N-((1S)-2-oxo-2-(((1S)-1-(2-phenylethyl)-3-(phenylsulfonyl)-2-propen-1-yl)amino)-1-(phenylmethyl)ethyl)- CAS 233277-99-1 PubChem CID 9851116
CN1CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](/C=C/S(=O)(=O)c2ccccc2)CCc2ccccc2)CC1 -
(2S)-1-((2R)-2-amino-3-(3H-imidazol-4-yl)propanoyl)-N-((2R)-1-(((2S,3S)-1-((2S)-2-formyl-2-(piperidine-1-carbonyl)piperidin-1-yl)-3-methyl-1-oxopent-4-en-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)pyrrolidine-2-carboxamide CAS 127819-96-9 PubChem CID 196819
C=C[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1cnc[nH]1)C(=O)N1CCCC[C@]1(C=O)C(=O)N1CCCCC1 -
(2S)-2-amino-N-[(2S,3S)-1-[(2S)-1-[(2R)-2-amino-3-[2,2-bis(piperidine-1-carbonyl)imidazol-4-yl]propanoyl]-2-formylpyrrolidin-2-yl]-3-methyl-1-oxopentan-2-yl]-3-naphthalen-2-ylpropanamide CAS 127819-97-0 PubChem CID 188397
CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccc2ccccc2c1)C(=O)[C@@]1(C=O)CCCN1C(=O)[C@H](N)CC1=NC(C(=O)N2CCCCC2)(C(=O)N2CCCCC2)N=C1 -
(2S,4R)-2-Methyl-4-(2-((1R,3R)-1-acetoxy-3-(N-((2S,3S)-1-oxo-2-(N-((2R)-1-methylpiperidine-2-yl)carbonylamino)-3-methylpentane-1-yl)-N-methylamino)-4-methylpentane-1-yl)thiazole-4-ylcarbonylamino)-5-phenylvaleric acid CAS 936691-46-2 PubChem CID 23634457
CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccccc2)C[C@H](C)C(=O)O)cs1)C(C)C -
Oxalic acid--1-(3-{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}propyl)-6-phenylpiperidin-2-one (1/1) CAS 109758-31-8 PubChem CID 3066222
O=C(O)C(=O)O.O=C1CCCC(c2ccccc2)N1CCCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 -
[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl] 1-[(2R)-2-[[(2R)-2-(2-methylpropoxycarbonylamino)-3-phenylpropanoyl]amino]-3-naphthalen-1-ylpropanoyl]piperidine-4-carboxylate CAS 159440-06-9 PubChem CID 462203
CC(C)COC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N1CCC(C(=O)O[C@@H](CC(C)C)C(=O)N[C@H](C(N)=O)C(C)C)CC1 -
4-Piperidinecarboxylic acid, 1-[N-[N-[(2-methylpropoxy)carbonyl]-L-phenylalanyl]-3-(2-naphthalenyl)-D-alanyl]-, 10-hydroxy-4-(1-methylethyl)-1-(2-methylpropyl)-10-oxido-2,5,16-trioxo-13-[(1-oxohexadecyl)oxy]-9,11,15-trioxa-3,6-diaza-10-phosphahentriacont-1-yl ester, [1S-(1R*,4R*,13S)]- CAS 159440-09-2 PubChem CID 462265
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)OC(=O)C1CCN(C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCC(C)C)CC1)C(C)C)OC(=O)CCCCCCCCCCCCCCC -
sodium;(4aR,6R,7R,7aS)-6-(6-amino-8-piperidin-1-ylpurin-9-yl)-2-oxido-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol CAS 156816-36-3 PubChem CID 44755139
Nc1ncnc2c1nc(N1CCCCC1)n2[C@@H]1O[C@@H]2COP([O-])(=S)O[C@H]2[C@H]1O.[Na+] -
4-Piperidinecarboxylic acid, 1-(N-(N-(9-hydroxy-9-oxido-1,4,15-trioxo-12-((1-oxohexadecyl)oxy)-8,10,14-trioxa-5-aza-9-phosphatriacont-1-yl)-D-phenylalanyl)-3-(1-naphthalenyl)-D-alanyl)-, 1-(((1-(aminocarbonyl)-2-methylpropyl)amino)carbonyl)-3-methylbutyl ester, stereoisomer CAS 159440-07-0 PubChem CID 462263
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N1CCC(C(=O)O[C@@H](CC(C)C)C(=O)N[C@H](C(N)=O)C(C)C)CC1)OC(=O)CCCCCCCCCCCCCCC -
[(2R)-1-heptadecanoyloxy-3-[hydroxy-[(1S,5R)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate PubChem CID 9776841
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC)COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O -
O=C(O)C1CCCCN1 -
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(N)=O)C(C)C