小分子和化合物库
选项
-
9H-全氟壬酸乙酯CAS号: 1799-47-9分子式: C11H6F16O2 分子量: 474.14IUPAC Name: ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoateSMILES: CCOC(=O)C(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)FInChIKey: HRSRZMSDVRJBEZ-UHFFFAOYSA-NInChI: 1S/C11H6F16O2/c1-2-29-4(28)6(16,17)8(20,21)10(24,25)11(26,27)9(22,23)7(18,19)5(14,15)3(12)13/h3H,2H2,1H3
-
Bax channel blockerCAS号: 335165-68-9 Compound CID : 2729026分子式: C19H21Br2N3O 分子量: 467.20IUPAC Name: 1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochlorideSMILES: C1CN(CCN1)CC(CN2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br)O.Cl.ClInChIKey: HWFKCAFKXZFOQT-UHFFFAOYSA-NInChI: 1S/C19H21Br2N3O.2ClH/c20-13-1-3-18-16(9-13)17-10-14(21)2-4-19(17)24(18)12-15(25)11-23-7-5-22-6-8-23;;/h1-4,9-10,15,22,25H,5-8,11-12H2;2*1H
-
Boc-L-谷氨酸-γ-叔丁酯α-N-羟基琥珀酰亚胺酯CAS号: 32886-55-8分子式: C18H28N2O8 分子量: 400.4IUPAC Name: 5-O-tert-butyl 1-O-(2,5-dioxopyrrolidin-1-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioateSMILES: CC(C)(C)OC(=O)CCC(C(=O)ON1C(=O)CCC1=O)NC(=O)OC(C)(C)CInChIKey: HZDCTRJVURFFQX-NSHDSACASA-NInChI: 1S/C18H28N2O8/c1-17(2,3)26-14(23)10-7-11(19-16(25)27-18(4,5)6)15(24)28-20-12(21)8-9-13(20)22/h11H,7-10H2,1-6H3,(H,19,25)/t11-/m0/s1
-
C-苯并二氢吡喃-6-甲胺CAS号: 55746-21-9分子式: C10H13NO 分子量: 163.22IUPAC Name: 3,4-dihydro-2H-chromen-6-ylmethanamineSMILES: C1CC2=C(C=CC(=C2)CN)OC1InChIKey: IVHMTTRMDOTDKZ-UHFFFAOYSA-NInChI: 1S/C10H13NO/c11-7-8-3-4-10-9(6-8)2-1-5-12-10/h3-4,6H,1-2,5,7,11H2
-
Fmoc-Freidinger′s lactamCAS号: 145484-45-3分子式: C25H28N2O5 分子量: 436.5IUPAC Name: (2S)-2-[(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-oxopyrrolidin-1-yl]-4-methylpentanoic acidSMILES: CC(C)CC(C(=O)O)N1CCC(C1=O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24InChIKey: MPIWMZZNSZSFPD-YADHBBJMSA-NInChI: 1S/C25H28N2O5/c1-15(2)13-22(24(29)30)27-12-11-21(23(27)28)26-25(31)32-14-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,15,20-22H,11-14H2,1-2H3,(H,26,31)(H,29,30)/t21-,22+/m1/s1
-
Fmoc-L-Met-OSuCAS号: 112913-64-1 Compound CID : 15028272分子式: C24H24N2O6S 分子量: 468.52IUPAC Name: (2,5-dioxopyrrolidin-1-yl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylsulfanylbutanoateSMILES: CSCCC(C(=O)ON1C(=O)CCC1=O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24InChIKey: AQHGGWPKXOCXAB-FQEVSTJZSA-NInChI: 1S/C24H24N2O6S/c1-33-13-12-20(23(29)32-26-21(27)10-11-22(26)28)25-24(30)31-14-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,19-20H,10-14H2,1H3,(H,25,30)/t20-/m0/s1
-
Fmoc-(R)-3-氨基-3-(2-溴苯基)丙酸CAS号: 517905-84-9 Compound CID : 2761726分子式: C24H20BrNO4 分子量: 466.32IUPAC Name: (3R)-3-(2-bromophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acidSMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC(=O)O)C4=CC=CC=C4BrInChIKey: DXTFQBWZFOPYGV-JOCHJYFZSA-NInChI: 1S/C24H20BrNO4/c25-21-12-6-5-11-19(21)22(13-23(27)28)26-24(29)30-14-20-17-9-3-1-7-15(17)16-8-2-4-10-18(16)20/h1-12,20,22H,13-14H2,(H,26,29)(H,27,28)/t22-/m1/s1
-
Fmoc-(S)-3-氨基-3-(2,3-二氯苯基)丙酸CAS号: 501015-35-6 Compound CID : 7023355分子式: C24H19Cl2NO4 分子量: 456.32IUPAC Name: (3S)-3-(2,3-dichlorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acidSMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC(=O)O)C4=C(C(=CC=C4)Cl)ClInChIKey: JBFKUGQWZXNAMM-NRFANRHFSA-NInChI: 1S/C24H19Cl2NO4/c25-20-11-5-10-18(23(20)26)21(12-22(28)29)27-24(30)31-13-19-16-8-3-1-6-14(16)15-7-2-4-9-17(15)19/h1-11,19,21H,12-13H2,(H,27,30)(H,28,29)/t21-/m0/s1
-
Fmoc-(S)-3-氨基-3-(2-溴苯基)丙酸CAS号: 507472-17-5 Compound CID : 7023385分子式: C24H20BrNO4 分子量: 466.3IUPAC Name: (3S)-3-(2-bromophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acidSMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC(=O)O)C4=CC=CC=C4BrInChIKey: DXTFQBWZFOPYGV-QFIPXVFZSA-NInChI: 1S/C24H20BrNO4/c25-21-12-6-5-11-19(21)22(13-23(27)28)26-24(29)30-14-20-17-9-3-1-7-15(17)16-8-2-4-10-18(16)20/h1-12,20,22H,13-14H2,(H,26,29)(H,27,28)/t22-/m0/s1
-
HDSFCAS号: 86855-26-7分子式: C16H33FO2S 分子量: 308.5IUPAC Name: hexadecane-1-sulfonyl fluorideSMILES: CCCCCCCCCCCCCCCCS(=O)(=O)FInChIKey: QIVFMUVBIHIZAM-UHFFFAOYSA-NInChI: 1S/C16H33FO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3
-
JS-KCAS号: 205432-12-8分子式: C13H16N6O8 分子量: 384.30IUPAC Name: (Z)-(2,4-dinitrophenoxy)imino-(4-ethoxycarbonylpiperazin-1-yl)-oxidoazaniumSMILES: CCOC(=O)N1CCN(CC1)[N+](=NOC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[O-]InChIKey: DNJRNBYZLPKSHV-RGEXLXHISA-NInChI: 1S/C13H16N6O8/c1-2-26-13(20)15-5-7-16(8-6-15)19(25)14-27-12-4-3-10(17(21)22)9-11(12)18(23)24/h3-4,9H,2,5-8H2,1H3/b19-14-
-
LP 533401盐酸盐CAS号: 1040526-12-2分子式: C27H22F4N4O3・HCl 分子量: 562.94IUPAC Name: (2S)-2-amino-3-[4-[2-amino-6-[2,2,2-trifluoro-1-[4-(3-fluorophenyl)phenyl]ethoxy]pyrimidin-4-yl]phenyl]propanoic acid;hydrochlorideSMILES: C1=CC(=CC(=C1)F)C2=CC=C(C=C2)C(C(F)(F)F)OC3=NC(=NC(=C3)C4=CC=C(C=C4)CC(C(=O)O)N)N.ClInChIKey: BHBWZCUMIXCDPM-CHXZROHQSA-NInChI: See more
首页
400-620-6333











