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Amino acids, peptides, and analogues
Description:
Organic compounds containing an amino acid or a peptide backbone, or derivatives thereof.
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N-(2-Hydroxyethyl)ethylenediamine-N,N′,N′-triacetic acidCas Number: 150-39-0 EC Number: 205-759-3Formula: HOCH2CH2N(CH2CO2H)CH2CH2N(CH2CO2H)2 Molecular Weight: 278.26IUPAC Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetic acidSMILES: C(CN(CC(=O)O)CC(=O)O)N(CCO)CC(=O)OInChIKey: URDCARMUOSMFFI-UHFFFAOYSA-NInChI: InChI=1S/C10H18N2O7/c13-4-3-11(5-8(14)15)1-2-12(6-9(16)17)7-10(18)19/h13H,1-7H2,(H,14,15)(H,16,17)(H,18,19)
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Cilengitide acetateCas Number: 188968-51-6(free base)Formula: C27H40N8O7(free base) Molecular Weight: 588.66(free base)
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Leukotriene C4Cas Number: 72025-60-6Formula: C30H47N3O9S Molecular Weight: 625.77IUPAC Name: show moreSMILES: CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)NInChIKey: GWNVDXQDILPJIG-NXOLIXFESA-NInChI: show more
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Ticarcillin disodium saltCas Number: 4697-14-7Formula: C15H14N2Na2O6S2 Molecular Weight: 428.39IUPAC Name: disodium;(2S,5R,6R)-6-[[(2R)-2-carboxylato-2-thiophen-3-ylacetyl]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=CSC=C3)C(=O)[O-])C(=O)[O-])C.[Na+].[Na+]InChIKey: ZBBCUBMBMZNEME-QBGWIPKPSA-LInChI: show moreSynonyms: Disodium (2S-(2alpha,5alpha,6beta(S*)))-6-(carboxylato-3-thienylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2...
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Cobicistat (GS-9350)Cas Number: 1004316-88-4Formula: C40H53N7O5S2 Molecular Weight: 776.02IUPAC Name: show moreSMILES: CC(C)C1=NC(=CS1)CN(C)C(=O)NC(CCN2CCOCC2)C(=O)NC(CCC(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5InChIKey: ZCIGNRJZKPOIKD-CQXVEOKZSA-NInChI: show moreSynonyms: GS-9350 | GS 9350 | GS9350 | (3R,6R,9S)-12-Methyl-13-[2-(1-methylethyl)-4-thiazolyl]-9-[2-(4-morpholinyl)ethyl]-8,11-...
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Nafcillin sodium salt monohydrateCas Number: 7177-50-6Formula: C21H21N2O5SNa·H2O Molecular Weight: 454.47IUPAC Name: sodium;(2S,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydrateSMILES: CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-].O.[Na+]InChIKey: OCXSDHJRMYFTMA-KMFBOIRUSA-MInChI: show moreSynonyms: Sodium (2S,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-ca...
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Mezlocillin SodiumCas Number: 42057-22-7 Compound CID: 23685177Formula: C21H24N5NaO8S2 Molecular Weight: 561.56IUPAC Name: show moreSMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)N4CCN(C4=O)S(=O)(=O)C)C(=O)[O-])C.[Na+]InChIKey: GTGQRSIMEUWHPA-ZBJAFUORSA-MInChI: show moreSynonyms: BAY-f 1353 sodium | [2S-[2alpha,5alpha,6beta(S*)]]-3,3-Dimethyl-6-[[[[[3-(Methylsulfonyl)-2-Oxo-1-Imidazolidinyl]Carb...
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α-Fluoro-β-alanineCas Number: 3821-81-6 EC Number: 223-318-3Formula: C3H6FNO2 Molecular Weight: 107.08IUPAC Name: 3-amino-2-fluoropropanoic acidSMILES: NCC(F)C(O)=OInChIKey: OJQNRNQELNLWHH-UHFFFAOYSA-NInChI: InChI=1S/C3H6FNO2/c4-2(1-5)3(6)7/h2H,1,5H2,(H,6,7)Synonyms: 3-Amino-2-fluoropropionic acid | DL-2-Fluoro-β-alanine
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tert-Butyl (2-((tert-butoxycarbonyl)amino)ethyl)(2-hydroxyethyl)carbamateCas Number: 200283-08-5 Compound CID: 22741532Formula: C14H28N2O5 Molecular Weight: 304.38IUPAC Name: tert-butyl N-(2-hydroxyethyl)-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamateSMILES: CC(C)(C)OC(=O)NCCN(CCO)C(=O)OC(C)(C)CInChIKey: AIUKWIFZPQMOBA-UHFFFAOYSA-NInChI: InChI=1S/C14H28N2O5/c1-13(2,3)20-11(18)15-7-8-16(9-10-17)12(19)21-14(4,5)6/h17H,7-10H2,1-6H3,(H,15,18)
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γ-Glu-Phe,γ-GlutamylphenylalanineCas Number: 7432-24-8 Compound CID: 111299Formula: C₁₄H₁₈N₂O₅・C2HF3O₂ Molecular Weight: 408.32IUPAC Name: (2S)-2-amino-5-[[(1S)-1-carboxy-2-phenylethyl]amino]-5-oxopentanoic acidSMILES: C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CCC(C(=O)O)NInChIKey: XHHOHZPNYFQJKL-QWRGUYRKSA-NInChI: InChI=1S/C14H18N2O5/c15-10(13(18)19)6-7-12(17)16-11(14(20)21)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,17)(H,18,19)(H,20,21)/t10-,11-/m0/s1
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α-ketoglutaric acid di-L-arginine saltCas Number: 5256-76-8Formula: C5H6O5*2C6H14N4O2 Molecular Weight: 494.505SMILES: C(CC(C(=O)O)N)CN=C(N)N.C(CC(C(=O)O)N)CN=C(N)N.C(CC(=O)O)C(=O)C(=O)OInChIKey: NCRWNFFIHNRODM-SCGRZTRASA-NInChI: InChI=1S/2C6H14N4O2.C5H6O5/c2*7-4(5(11)12)2-1-3-10-6(8)9;6-3(5(9)10)1-2-4(7)8/h2*4H,1-3,7H2,(H,11,12)(H4,8,9,10);1-2H2,(H,7,8)(H,9,10)/t2*4-;/m00./s1
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tert-butyl but-3-enyl(methyl)carbamateCas Number: 312728-28-2 Compound CID: 18624577Formula: C10H19NO2 Molecular Weight: 185.26IUPAC Name: tert-butyl N-but-3-enyl-N-methylcarbamateSMILES: CC(C)(C)OC(=O)N(C)CCC=CInChIKey: MZYNQTOPYXEUDX-UHFFFAOYSA-NInChI: InChI=1S/C10H19NO2/c1-6-7-8-11(5)9(12)13-10(2,3)4/h6H,1,7-8H2,2-5H3

