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小分子和化合物库
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L-多巴-(苯基-d₃)CAS号: 53587-29-4分子式: C9H8D3NO4 分子量: 200.21IUPAC Name: (2S)-2-amino-3-(2,3,6-trideuterio-4,5-dihydroxyphenyl)propanoic acidSMILES: C1=CC(=C(C=C1CC(C(=O)O)N)O)OInChIKey: WTDRDQBEARUVNC-UOCCHMHCSA-NInChI: 1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1/i1D,2D,4D
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催产素-(亮氨酸-5,5,5-d₃, 甘氨酸-2,2-d₂ ) 三氟乙酸盐CAS号: 50-56-6分子式: C43H66N12O12S2 分子量: 1007.19IUPAC Name: See more
SMILES: CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)NInChIKey: XNOPRXBHLZRZKH-DSZYJQQASA-NInChI: See more -
氯化胆碱-(三甲基-d₉)CAS号: 61037-86-3分子式: HOCH2CH2N(CD3)3Cl 分子量: 148.68IUPAC Name: 2-hydroxyethyl-tris(trideuteriomethyl)azanium;chlorideSMILES: C[N+](C)(C)CCO.[Cl-]InChIKey: SGMZJAMFUVOLNK-KYRNGWDOSA-MInChI: 1S/C5H14NO.ClH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1/i1D3,2D3,3D3;
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生物素-2',2',3',3'-d₄CAS号: 1217850-77-5分子式: C10H12D4N2O3S 分子量: 248.34IUPAC Name: 5-[(4S)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acidSMILES: C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2InChIKey: YBJHBAHKTGYVGT-CRMOQAEOSA-NInChI: 1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6?,7-,9?/m0/s1
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石胆酸-2,2,4,4-d₄CAS号: 83701-16-0分子式: C24H36D4O3 分子量: 380.60IUPAC Name: (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-3-hydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acidSMILES: [H][C@@]12[C@]([C@](CC([2H])([2H])[C@@H](O)C3([2H])[2H])(C)[C@]3([H])CC2)([H])CC[C@@]4(C)[C@@]1([H])CC[C@]4([H])[C@]([H])(C)CCC(O)=OInChIKey: SMEROWZSTRWXGI-POXZWENPSA-NInChI: 1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1/i10D2,14D2
