小分子和化合物库
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匹美西林盐酸盐CAS号: 32887-03-9分子式: C21H33N3O5S.HCl 分子量: 476.03IUPAC Name: 2,2-dimethylpropanoyloxymethyl (2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydrochlorideSMILES: CC1(C(N2C(S1)C(C2=O)N=CN3CCCCCC3)C(=O)OCOC(=O)C(C)(C)C)C.ClInChIKey: UHPXMYLONAGUPC-WKLLBTDKSA-NInChI: 1S/C21H33N3O5S.ClH/c1-20(2,3)19(27)29-13-28-18(26)15-21(4,5)30-17-14(16(25)24(15)17)22-12-23-10-8-6-7-9-11-23;/h12,14-15,17H,6-11,13H2,1-5H3;1H/t14-,15+,17-;/m1./s1
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碘化丙锭(PI)分子式: C27H34I2N4 分子量: 668.39IUPAC Name: 3-(3,8-diamino-6-phenylphenanthridin-5-ium-5-yl)propyl-diethyl-methylazanium;diiodideSMILES: CC[N+](C)(CC)CCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.[I-].[I-]InChIKey: XJMOSONTPMZWPB-UHFFFAOYSA-MInChI: 1S/C27H33N4.2HI/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)13-15-24(26)23-14-12-21(28)18-25(23)27(30)20-10-7-6-8-11-20;;/h6-8,10-15,18-19,29H,4-5,9,16-17,28H2,1-3H3;2*1H/q+1;;/p-1
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4,4'-二苯胺基-1,1'-联萘-5,5'-二磺酸二钾盐CAS号: 65664-81-5分子式: C32H22K2N2O6S2 分子量: 672.85IUPAC Name: dipotassium;8-anilino-5-(4-anilino-5-sulfonatonaphthalen-1-yl)naphthalene-1-sulfonateSMILES: C1=CC=C(C=C1)NC2=C3C(=C(C=C2)C4=C5C=CC=C(C5=C(C=C4)NC6=CC=CC=C6)S(=O)(=O)[O-])C=CC=C3S(=O)(=O)[O-].[K+].[K+]InChIKey: VWLWTJHKQHRTNC-UHFFFAOYSA-LInChI: See more
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Triacsin C,来自链霉菌属CAS号: 76896-80-5 Compound CID : 9576787分子式: C11H17N3O 分子量: 207.27IUPAC Name: N-[(E)-[(2E,4E,7E)-undeca-2,4,7-trienylidene]amino]nitrous amideSMILES: CCCC=CCC=CC=CC=NNN=OInChIKey: NKTGCVUIESDXPU-YLEPRARLSA-NInChI: 1S/C11H17N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h4-5,7-11H,2-3,6H2,1H3,(H,13,15)/b5-4+,8-7+,10-9+,12-11+
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三庚酸甘油酯分子式: [CH3(CH2)5COOCH2]2CHOCO(CH2)5CH3 分子量: 428.6IUPAC Name: 2,3-di(heptanoyloxy)propyl heptanoateSMILES: CCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCCInChIKey: PJHKBYALYHRYSK-UHFFFAOYSA-NInChI: 1S/C24H44O6/c1-4-7-10-13-16-22(25)28-19-21(30-24(27)18-15-12-9-6-3)20-29-23(26)17-14-11-8-5-2/h21H,4-20H2,1-3H3
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6-叔-丁基-2,3-萘二甲腈CAS号: 32703-82-5分子式: C16H14N2 分子量: 234.3IUPAC Name: 6-tert-butylnaphthalene-2,3-dicarbonitrileSMILES: CC(C)(C)C1=CC2=CC(=C(C=C2C=C1)C#N)C#NInChIKey: MKILROQBJOOZKC-UHFFFAOYSA-NInChI: 1S/C16H14N2/c1-16(2,3)15-5-4-11-6-13(9-17)14(10-18)7-12(11)8-15/h4-8H,1-3H3
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生物素-PEG4-酰肼CAS号: 756525-97-0分子式: C21H39N5O7S 分子量: 505.63IUPAC Name: N-[2-[2-[2-[2-(3-hydrazinyl-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamideSMILES: C1C2C(C(S1)CCCCC(=O)NCCOCCOCCOCCOCCC(=O)NN)NC(=O)N2InChIKey: PSBJJOWIACLJAQ-UHFFFAOYSA-NInChI: 1S/C21H39N5O7S/c22-26-19(28)5-7-30-9-11-32-13-14-33-12-10-31-8-6-23-18(27)4-2-1-3-17-20-16(15-34-17)24-21(29)25-20/h16-17,20H,1-15,22H2,(H,23,27)(H,26,28)(H2,24,25,29)
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四乙烯五胺 五盐酸盐分子式: C8H28Cl5N5 分子量: 371.61IUPAC Name: N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;pentahydrochlorideSMILES: C(CNCCNCCNCCN)N.Cl.Cl.Cl.Cl.ClInChIKey: VGICAQBLDJAGSJ-UHFFFAOYSA-NInChI: 1S/C8H23N5.5ClH/c9-1-3-11-5-7-13-8-6-12-4-2-10;;;;;/h11-13H,1-10H2;5*1H
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Rebaudioside DCAS号: 63279-13-0 Compound CID : 71773169分子式: C50H80O28 分子量: 1129.15IUPAC Name: See moreSMILES: See moreInChIKey: RPYRMTHVSUWHSV-CUZJHZIBSA-NInChI: See more
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微囊藻毒素LR,去甲基(“ Asp3-MCLR”)CAS号: 120011-66-7 Compound CID : 6440025分子式: C48H72N10O12 分子量: 981.14IUPAC Name: See moreSMILES: CC1C(NC(=O)C(NC(=O)CC(NC(=O)C(NC(=O)C(NC(=O)C(=C)N(C(=O)CCC(NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)CCCN=C(N)N)C=CC(=CC(C)C(CC2=CC=CC=C2)OC)CInChIKey: VYEBKSHVYPDMQQ-MREVJOSWSA-NInChI: See more
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