小分子和化合物库
选项
-
人血管紧张素 I 乙酸盐 水合物CAS号: 70937-97-2 Compound CID : 129893887分子式: C62H89N17O14·xC2H4O2·yH2O 分子量: 1296.48 (anhydrous,free base)IUPAC Name: See moreSMILES: CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC4=CN=CN4)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)N.CC(=O)O.OInChIKey: GQMWNZUFNXZMDE-TYQYNJATSA-NInChI: See more
-
精氨酸-甘氨酸-天冬氨酸-丝氨酸CAS号: 91037-65-9分子式: C15H27N7O8 分子量: 433.42IUPAC Name: (3S)-3-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-4-oxobutanoic acidSMILES: C(CC(C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)O)N)CN=C(N)NInChIKey: NNRFRJQMBSBXGO-CIUDSAMLSA-NInChI: 1S/C15H27N7O8/c16-7(2-1-3-19-15(17)18)12(27)20-5-10(24)21-8(4-11(25)26)13(28)22-9(6-23)14(29)30/h7-9,23H,1-6,16H2,(H,20,27)(H,21,24)(H,22,28)(H,25,26)(H,29,30)(H4,17,18,19)/t7-,8-,9-/m0/s1
-
N -琥珀酰亚胺4 -叠氮- 2,3,5,6-四氟苯甲酸CAS号: 126695-58-7分子式: C11H4F4O4 分子量: 332.167IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 4-azido-2,3,5,6-tetrafluorobenzoateSMILES: C1CC(=O)N(C1=O)OC(=O)C2=C(C(=C(C(=C2F)F)N=[N+]=[N-])F)FInChIKey: HCTLWQSYGIBOFM-UHFFFAOYSA-NInChI: 1S/C11H4F4N4O4/c12-6-5(7(13)9(15)10(8(6)14)17-18-16)11(22)23-19-3(20)1-2-4(19)21/h1-2H2
-
Adrenorphin,激动剂CAS号: 88866-92-6 Compound CID : 71308699分子式: C44H68N14O10S 分子量: 985.16IUPAC Name: See moreSMILES: CC(C)C(C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCSC)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC2=CC=C(C=C2)O)NInChIKey: ZBRXWGQCHSFAHM-MWSMAVIUSA-NInChI: See more
-
AEE788 (NVP-AEE788),EGFR和VEGFR抑制剂CAS号: 497839-62-0分子式: C27H32N6 分子量: 440.58IUPAC Name: 6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amineSMILES: CCN1CCN(CC1)CC2=CC=C(C=C2)C3=CC4=C(N3)N=CN=C4NC(C)C5=CC=CC=C5InChIKey: OONFNUWBHFSNBT-HXUWFJFHSA-NInChI: 1S/C27H32N6/c1-3-32-13-15-33(16-14-32)18-21-9-11-23(12-10-21)25-17-24-26(28-19-29-27(24)31-25)30-20(2)22-7-5-4-6-8-22/h4-12,17,19-20H,3,13-16,18H2,1-2H3,(H2,28,29,30,31)/t20-/m1/s1
-
3,3',5-三碘-L-甲状腺素钠CAS号: 55-06-1分子式: C15H11I3NNaO4 分子量: 672.96IUPAC Name: sodium;(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoateSMILES: C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(C(=O)[O-])N)I)I)O.[Na+]InChIKey: SBXXSUDPJJJJLC-YDALLXLXSA-MInChI: 1S/C15H12I3NO4.Na/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22;/h1-4,6,12,20H,5,19H2,(H,21,22);/q;+1/p-1/t12-;/m0./s1
-
胆酸甲酯CAS号: 1448-36-8分子式: C25H42O5 分子量: 422.61IUPAC Name: methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoateSMILES: CC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)CInChIKey: DLYVTEULDNMQAR-SRNOMOOLSA-NInChI: 1S/C25H42O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-21,23,26-28H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19+,20-,21+,23+,24+,25-/m1/s1
-
-
-
氧化型辅酶II 二钠(β-NADP-Na₂)分子式: C21H26N7Na2O17P3 分子量: 787.37IUPAC Name: See moreSMILES: C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)OP(=O)([O-])[O-])O)O)O)C(=O)N.[Na+].[Na+]InChIKey: WSDDJLMGYRLUKR-WUEGHLCSSA-LInChI: See more
-
氨基九甘醇单甲醚CAS号: 211859-73-3分子式: C19H41NO9 分子量: 427.53IUPAC Name: 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamineSMILES: COCCOCCOCCOCCOCCOCCOCCOCCOCCNInChIKey: FYQAZBUDEOSOFG-UHFFFAOYSA-NInChI: 1S/C19H41NO9/c1-21-4-5-23-8-9-25-12-13-27-16-17-29-19-18-28-15-14-26-11-10-24-7-6-22-3-2-20/h2-20H2,1H3
首页
400-620-6333











