小分子和化合物库
选项
-
-
2-吡啶-3-基苯甲醛CAS号: 176690-44-1 Compound CID : 3857593分子式: C12H9NO 分子量: 183.21IUPAC Name: 2-pyridin-3-ylbenzaldehydeSMILES: C1=CC=C(C(=C1)C=O)C2=CN=CC=C2InChIKey: DTUANRRVVJRTJS-UHFFFAOYSA-NInChI: 1S/C12H9NO/c14-9-11-4-1-2-6-12(11)10-5-3-7-13-8-10/h1-9H
-
-
08 反式-2-(4-乙基苯基)环丙烷-1-羧酸CAS号: 1218693-48-1 Compound CID : 39057966分子式: C12H14O2 分子量: 190.1IUPAC Name: (1R,2R)-2-(4-ethylphenyl)cyclopropane-1-carboxylic acidSMILES: CCC1=CC=C(C=C1)C2CC2C(=O)OInChIKey: SALSHFOAPVYIEB-WDEREUQCSA-NInChI: 1S/C12H14O2/c1-2-8-3-5-9(6-4-8)10-7-11(10)12(13)14/h3-6,10-11H,2,7H2,1H3,(H,13,14)/t10-,11+/m0/s1
-
(2R3S)-3-苯基异丝氨酸乙酯CAS号: 143615-00-3 Compound CID : 10878392分子式: C11H15NO3 分子量: 209.242IUPAC Name: ethyl (2R,3S)-3-amino-2-hydroxy-3-phenylpropanoateSMILES: CCOC(=O)C(C(C1=CC=CC=C1)N)OInChIKey: PIYPODQNLLWXJG-VHSXEESVSA-NInChI: 1S/C11H15NO3/c1-2-15-11(14)10(13)9(12)8-6-4-3-5-7-8/h3-7,9-10,13H,2,12H2,1H3/t9-,10+/m0/s1
-
95 反式-2-(35-二氯苯基)环丙烷-1-羧酸CAS号: 220353-25-3 Compound CID : 53940797分子式: C14H17Cl2NO2 分子量: 301.06IUPAC Name: (1R,2R)-2-(3,5-dichlorophenyl)cyclopropane-1-carboxylic acidSMILES: C1C(C1C(=O)O)C2=CC(=CC(=C2)Cl)ClInChIKey: IXQKEOPPCOTSSC-DTWKUNHWSA-NInChI: 1S/C10H8Cl2O2/c11-6-1-5(2-7(12)3-6)8-4-9(8)10(13)14/h1-3,8-9H,4H2,(H,13,14)/t8-,9+/m0/s1
-
(R)-2-氯丙-1-醇CAS号: 37493-14-4 Compound CID : 181530分子式: C3H7ClO 分子量: 94.54IUPAC Name: (2R)-2-chloropropan-1-olSMILES: CC(CO)ClInChIKey: VZIQXGLTRZLBEX-GSVOUGTGSA-NInChI: 1S/C3H7ClO/c1-3(4)2-5/h3,5H,2H2,1H3/t3-/m1/s1
-
D-脱硫生物素分子式: C10H18N2O3 分子量: 214.26IUPAC Name: 6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acidSMILES: CC1C(NC(=O)N1)CCCCCC(=O)OInChIKey: AUTOLBMXDDTRRT-JGVFFNPUSA-NInChI: 1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)/t7-,8+/m0/s1
-
(R)-炔丙基甘氨酸盐酸盐CAS号: 87205-47-8分子式: C5H8ClNO2 分子量: 149.58IUPAC Name: (2R)-2-aminopent-4-ynoic acid;hydrochlorideSMILES: C#CCC(C(=O)O)N.ClInChIKey: UAMBUICGODABQY-PGMHMLKASA-NInChI: 1S/C5H7NO2.ClH/c1-2-3-4(6)5(7)8;/h1,4H,3,6H2,(H,7,8);1H/t4-;/m1./s1
-
Nε-2-叠氮乙氧羰基-L-赖氨酸CAS号: 1167421-25-1 Compound CID : 75302007分子式: C9H17N5O4 分子量: 259.26IUPAC Name: 2-amino-6-(2-azidoethoxycarbonylamino)hexanoic acidSMILES: C(CCNC(=O)OCCN=[N+]=[N-])CC(C(=O)O)NInChIKey: RPLCQQYRZLXMKL-UHFFFAOYSA-NInChI: 1S/C9H17N5O4/c10-7(8(15)16)3-1-2-4-12-9(17)18-6-5-13-14-11/h7H,1-6,10H2,(H,12,17)(H,15,16)
-
93 反式-2-(23-二氟苯基)环丙烷-1-羧酸CAS号: 1955548-02-3 Compound CID : 95396528分子式: C10H8F2O2 分子量: 198.05IUPAC Name: (1R,2R)-2-(2,3-difluorophenyl)cyclopropane-1-carboxylic acidSMILES: C1C(C1C(=O)O)C2=C(C(=CC=C2)F)FInChIKey: DMOJFERUHBBKLX-NKWVEPMBSA-NInChI: 1S/C10H8F2O2/c11-8-3-1-2-5(9(8)12)6-4-7(6)10(13)14/h1-3,6-7H,4H2,(H,13,14)/t6-,7+/m0/s1
-
辛伐他汀铵盐CAS号: 139893-43-9 Compound CID : 12967766分子式: C25H43NO6 分子量: 453.61IUPAC Name: (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid;azaneSMILES: CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O)C.NInChIKey: FFPDWNBTEIXJJF-OKDJMAGBSA-NInChI: See more
首页
400-620-6333











