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Phenylalanine and derivatives
Description:
Compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
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2-((tert-Butoxycarbonyl)amino)-3-(4-(trifluoromethyl)phenyl)propanoic acidCas Number: 167496-29-9Formula: C15H18F3NO4 Molecular Weight: 333.3IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)phenyl]propanoic acidSMILES: CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C(F)(F)F)C(=O)OInChIKey: SMVCCWNHCHCWAZ-UHFFFAOYSA-NInChI: InChI=1S/C15H18F3NO4/c1-14(2,3)23-13(22)19-11(12(20)21)8-9-4-6-10(7-5-9)15(16,17)18/h4-7,11H,8H2,1-3H3,(H,19,22)(H,20,21)
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(S)-Ethyl 3-(4-aminophenyl)-2-((tert-butoxycarbonyl)amino)propanoateCas Number: 67630-01-7 Compound CID: 10638537Formula: C16H24N2O4 Molecular Weight: 308.37IUPAC Name: ethyl (2S)-3-(4-aminophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoateSMILES: CCOC(=O)C(CC1=CC=C(C=C1)N)NC(=O)OC(C)(C)CInChIKey: YGUWRFUPGXSHNX-ZDUSSCGKSA-NInChI: InChI=1S/C16H24N2O4/c1-5-21-14(19)13(18-15(20)22-16(2,3)4)10-11-6-8-12(17)9-7-11/h6-9,13H,5,10,17H2,1-4H3,(H,18,20)/t13-/m0/s1
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(S)-2-Amino-3-(2,4-difluorophenyl)propanoic acidCas Number: 31105-93-8Formula: C9H9F2NO2 Molecular Weight: 201.17IUPAC Name: (2S)-2-amino-3-(2,4-difluorophenyl)propanoic acidSMILES: C1=CC(=C(C=C1F)F)CC(C(=O)O)NInChIKey: UEFLPVKMPDEMFW-QMMMGPOBSA-NInChI: InChI=1S/C9H9F2NO2/c10-6-2-1-5(7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,12H2,(H,13,14)/t8-/m0/s1
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(S)-2-Amino-3-(2,3,4-trifluorophenyl)propanoic acidCas Number: 873429-58-4 Compound CID: 10513049Formula: C9H8F3NO2 Molecular Weight: 219.16IUPAC Name: (2S)-2-amino-3-(2,3,4-trifluorophenyl)propanoic acidSMILES: C1=CC(=C(C(=C1CC(C(=O)O)N)F)F)FInChIKey: FGKZSVVTLDUTMM-LURJTMIESA-NInChI: InChI=1S/C9H8F3NO2/c10-5-2-1-4(7(11)8(5)12)3-6(13)9(14)15/h1-2,6H,3,13H2,(H,14,15)/t6-/m0/s1
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(S)-2-Amino-3-(4-(sulfooxy)phenyl)propanoic acidCas Number: 956-46-7 Compound CID: 514186Formula: C9H11NO6S Molecular Weight: 261.25IUPAC Name: (2S)-2-amino-3-(4-sulfooxyphenyl)propanoic acidSMILES: C1=CC(=CC=C1CC(C(=O)O)N)OS(=O)(=O)OInChIKey: CIQHWLTYGMYQQR-QMMMGPOBSA-NInChI: InChI=1S/C9H11NO6S/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H,13,14,15)/t8-/m0/s1
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(S)-2-Amino-3-(3-aminophenyl)propanoic acidCas Number: 57213-16-8 Compound CID: 53754520Formula: C9H12N2O2 Molecular Weight: 180.2IUPAC Name: (2S)-2-amino-3-(3-aminophenyl)propanoic acidSMILES: C1=CC(=CC(=C1)N)CC(C(=O)O)NInChIKey: DDLYNVBJVVOUGB-QMMMGPOBSA-NInChI: InChI=1S/C9H12N2O2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)/t8-/m0/s1
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(S)-2-Amino-3-(3,4,5-trifluorophenyl)propionic acidCas Number: 646066-73-1Formula: C9H8F3NO2 Molecular Weight: 219.163IUPAC Name: (2S)-2-amino-3-(3,4,5-trifluorophenyl)propanoic acidSMILES: C1=C(C=C(C(=C1F)F)F)CC(C(=O)O)NInChIKey: SFKCVRLOYOHGFK-ZETCQYMHSA-NInChI: InChI=1S/C9H8F3NO2/c10-5-1-4(2-6(11)8(5)12)3-7(13)9(14)15/h1-2,7H,3,13H2,(H,14,15)/t7-/m0/s1
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(S)-2-Amino-3-(3-iodophenyl)propanoicacidIUPAC Name: (2S)-2-amino-3-(3-iodophenyl)propanoic acidSMILES: C1=CC(=CC(=C1)I)CC(C(=O)O)NInChIKey: BABTYIKKTLTNRX-QMMMGPOBSA-NInChI: InChI=1S/C9H10INO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
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(S)-2-Amino-3-(2-iodophenyl)propanoic acidFormula: C9H10INO2 Molecular Weight: 291.09IUPAC Name: (2S)-2-amino-3-(2-iodophenyl)propanoic acidSMILES: C1=CC=C(C(=C1)CC(C(=O)O)N)IInChIKey: BKXVGLPBXYBDDM-QMMMGPOBSA-NInChI: InChI=1S/C9H10INO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
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(S)-2-Acetamido-3-(4-chlorophenyl)propanoic acidCas Number: 55478-55-2Formula: C11H12ClNO3 Molecular Weight: 241.67IUPAC Name: (2S)-2-acetamido-3-(4-chlorophenyl)propanoic acidSMILES: CC(=O)NC(CC1=CC=C(C=C1)Cl)C(=O)OInChIKey: HLORMWAKCPDIPU-JTQLQIEISA-NInChI: InChI=1S/C11H12ClNO3/c1-7(14)13-10(11(15)16)6-8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1
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(S)-2-(((Benzyloxy)carbonyl)amino)-3-(2-fluorophenyl)propanoic acidCas Number: 127862-88-8 Compound CID: 14380137Formula: C17H16FNO4 Molecular Weight: 317.32IUPAC Name: (2S)-3-(2-fluorophenyl)-2-(phenylmethoxycarbonylamino)propanoic acidSMILES: C1=CC=C(C=C1)COC(=O)NC(CC2=CC=CC=C2F)C(=O)OInChIKey: GYJREHMTTLYKRJ-HNNXBMFYSA-NInChI: InChI=1S/C17H16FNO4/c18-14-9-5-4-8-13(14)10-15(16(20)21)19-17(22)23-11-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,19,22)(H,20,21)/t15-/m0/s1
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(S)-2-((tert-Butoxycarbonyl)amino)-3-(2,4-difluorophenyl)propanoic acidCas Number: 167993-00-2 Compound CID: 18664725Formula: C14H17F2NO4 Molecular Weight: 301.29IUPAC Name: (2S)-3-(2,4-difluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acidSMILES: CC(C)(C)OC(=O)NC(CC1=C(C=C(C=C1)F)F)C(=O)OInChIKey: JNELGIOSRKVOJY-NSHDSACASA-NInChI: InChI=1S/C14H17F2NO4/c1-14(2,3)21-13(20)17-11(12(18)19)6-8-4-5-9(15)7-10(8)16/h4-5,7,11H,6H2,1-3H3,(H,17,20)(H,18,19)/t11-/m0/s1
