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Amoxicillin SodiumCAS号 : 34642-77-8 Compound CID : 23663126分子式: C16H18N3O5S.Na 分子量: 387.39IUPAC Name: sodium;(2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylateSMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)[O-])C.[Na+]InChIKey: BYHDFCISJXIVBV-YWUHCJSESA-MInChI: InChI=1S/C16H19N3O5S.Na/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);/q;+1/p-1/t9-,10-,11+,14-;/m1./s1
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L-亮氨酸-¹³C₆,¹⁵NCAS号 : 202406-52-8 Compound CID : 16217567分子式: (13CH3)213CH13CH213CH(15NH2)13CO2H 分子量: 138.12IUPAC Name: (2S)-2-(15N)azanyl-4-(113C)methyl(1,2,3,4,5-13C5)pentanoic acidSMILES: CC(C)CC(C(=O)O)NInChIKey: ROHFNLRQFUQHCH-HUEJSTCGSA-NInChI: InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1
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L-脯氨酸-¹³C₅,¹⁵NCAS号 : 202407-23-6 Compound CID : 71310238分子式: C5H9NO2 分子量: 121.09IUPAC Name: (2S)-(2,3,4,5-13C4,115N)azolidine-2-carboxylic acidSMILES: C1CC(NC1)C(=O)OInChIKey: ONIBWKKTOPOVIA-XAFSXMPTSA-NInChI: InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1
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羧苄青霉素 二钠盐分子式: C17H16N2O6SNa2 分子量: 422.36IUPAC Name: disodium;(2S,5R,6R)-6-[(2-carboxylato-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylateSMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)[O-])C(=O)[O-])C.[Na+].[Na+]InChIKey: RTYJTGSCYUUYAL-YCAHSCEMSA-LInChI: InChI=1S/C17H18N2O6S.2Na/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8;;/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25);;/q;2*+1/p-2/t9?,10-,11+,14-;;/m1../s1
