小分子和化合物库
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β-谷甾醇乙酸酯(含菜油甾醇乙酸酯)CAS号: 915-05-9分子式: C31H52O2 分子量: 456.76IUPAC Name: [(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetateSMILES: CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)C(C)CInChIKey: PBWOIPCULUXTNY-LBKBYZTLSA-NInChI: 1S/C31H52O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h11,20-21,23,25-29H,8-10,12-19H2,1-7H3/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1
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DL-丙氨酸-¹⁵NCAS号: 71261-64-8分子式: CH3CH(15NH2)CO2H 分子量: 90.09IUPAC Name: 2-(15N)azanylpropanoic acidSMILES: CC(C(=O)O)NInChIKey: QNAYBMKLOCPYGJ-AZXPZELESA-NInChI: 1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/i4+1
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L-谷氨酰胺-(胺-¹⁵N)CAS号: 80143-57-3分子式: H2NCO(CH2)2CH(15NH2)CO2H 分子量: 147.14IUPAC Name: (2S)-5-amino-2-(15N)azanyl-5-oxopentanoic acidSMILES: C(CC(=O)N)C(C(=O)O)NInChIKey: ZDXPYRJPNDTMRX-OGWWSMAPSA-NInChI: 1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i6+1
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吡啶-¹⁵NCAS号: 34322-45-7分子式: C5H5(15N) 分子量: 80.09IUPAC Name: (115N)pyridineSMILES: C1=CC=NC=C1InChIKey: JUJWROOIHBZHMG-PTQBSOBMSA-NInChI: 1S/C5H5N/c1-2-4-6-5-3-1/h1-5H/i6+1
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苯甲酰胺-¹⁵NCAS号: 31656-62-9分子式: C7H7¹⁵NO 分子量: 122.13IUPAC Name: (15N)benzamideSMILES: C1=CC=C(C=C1)C(=O)NInChIKey: KXDAEFPNCMNJSK-VJJZLTLGSA-NInChI: 1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)/i8+1
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海胺® 1622分子式: C27H42ClNO2 分子量: 448.08IUPAC Name: benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chlorideSMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]InChIKey: UREZNYTWGJKWBI-UHFFFAOYSA-MInChI: 1S/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1
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