小分子和化合物库
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(S)-AMPACAS号 : 83643-88-3分子式: C7H10N2O4 分子量: 186.17IUPAC Name: (2S)-2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acidSMILES: CC1=C(C(=O)NO1)CC(C(=O)O)NInChIKey: UUDAMDVQRQNNHZ-YFKPBYRVSA-NInChI: InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
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4-chloro-2-[(3-iodophenyl)carbamoylamino]benzoic AcidCAS号 : 639009-97-5 Compound CID : 10001987分子式: C14H10ClIN2O3 分子量: 416.6IUPAC Name: 4-chloro-2-[(3-iodophenyl)carbamoylamino]benzoic acidSMILES: C1=CC(=CC(=C1)I)NC(=O)NC2=C(C=CC(=C2)Cl)C(=O)OInChIKey: HDVLBTNZJJUZTI-UHFFFAOYSA-NInChI: InChI=1S/C14H10ClIN2O3/c15-8-4-5-11(13(19)20)12(6-8)18-14(21)17-10-3-1-2-9(16)7-10/h1-7H,(H,19,20)(H2,17,18,21)
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Tezampanel,拮抗剂CAS号 : 154652-83-2 Compound CID : 127894分子式: C13H21N5O2 分子量: 279.34IUPAC Name: (3S,4aR,6R,8aR)-6-[2-(2H-tetrazol-5-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acidSMILES: C1CC2CNC(CC2CC1CCC3=NNN=N3)C(=O)OInChIKey: ZXFRFPSZAKNPQQ-YTWAJWBKSA-NInChI: InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1
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红藻氨酸分子式: C10H15NO4 分子量: 213.233IUPAC Name: (2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acidSMILES: CC(=C)C1CNC(C1CC(=O)O)C(=O)OInChIKey: VLSMHEGGTFMBBZ-OOZYFLPDSA-NInChI: InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1
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海藻酸分子式: C10H15NO4 分子量: 213.233IUPAC Name: (2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acidSMILES: CC(=C)C1CNC(C1CC(=O)O)C(=O)OInChIKey: VLSMHEGGTFMBBZ-OOZYFLPDSA-NInChI: InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1
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UBP 310,GluK1红藻氨酸拮抗剂CAS号 : 902464-46-4 Compound CID : 6420160分子式: C14H15N3O6S 分子量: 353.35IUPAC Name: 3-[[3-[(2S)-2-amino-2-carboxyethyl]-5-methyl-2,6-dioxopyrimidin-1-yl]methyl]thiophene-2-carboxylic acidSMILES: CC1=CN(C(=O)N(C1=O)CC2=C(SC=C2)C(=O)O)CC(C(=O)O)NInChIKey: ZTAZUCRXCRXNSU-VIFPVBQESA-NInChI: InChI=1S/C14H15N3O6S/c1-7-4-16(6-9(15)12(19)20)14(23)17(11(7)18)5-8-2-3-24-10(8)13(21)22/h2-4,9H,5-6,15H2,1H3,(H,19,20)(H,21,22)/t9-/m0/s1
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UBP 302,红藻氨酸拮抗剂CAS号 : 745055-91-8 Compound CID : 6420161分子式: C15H15N3O6 分子量: 333.3IUPAC Name: 2-[[3-[(2S)-2-amino-2-carboxyethyl]-2,6-dioxopyrimidin-1-yl]methyl]benzoic acidSMILES: C1=CC=C(C(=C1)CN2C(=O)C=CN(C2=O)CC(C(=O)O)N)C(=O)OInChIKey: UUIYULWYHDSXHL-NSHDSACASA-NInChI: InChI=1S/C15H15N3O6/c16-11(14(22)23)8-17-6-5-12(19)18(15(17)24)7-9-3-1-2-4-10(9)13(20)21/h1-6,11H,7-8,16H2,(H,20,21)(H,22,23)/t11-/m0/s1
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SYM 2081,红藻氨酸激动剂CAS号 : 31137-74-3 Compound CID : 95883分子式: C6H11NO4 分子量: 161.16IUPAC Name: (2S,4R)-2-amino-4-methylpentanedioic acidSMILES: CC(CC(C(=O)O)N)C(=O)OInChIKey: KRKRAOXTGDJWNI-DMTCNVIQSA-NInChI: InChI=1S/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,4+/m1/s1
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(S)-(-)-5-IodowillardiineCAS号 : 140187-25-3 Compound CID : 447196分子式: C7H8IN3O4 分子量: 325.06IUPAC Name: (2S)-2-amino-3-(5-iodo-2,4-dioxopyrimidin-1-yl)propanoic acidSMILES: C1=C(C(=O)NC(=O)N1CC(C(=O)O)N)IInChIKey: AXXYLTBQIQBTES-BYPYZUCNSA-NInChI: InChI=1S/C7H8IN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1
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