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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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D，L-4-Fluorophenylalanine Ethyl Ester HydrochlorideFormula: C11H15ClFNO2 Molecular Weight: 247.69IUPAC Name: ethyl (2S)-2-amino-3-(4-fluorophenyl)propanoate;hydrochlorideSMILES: CCOC(=O)C(CC1=CC=C(C=C1)F)N.ClInChIKey: KMTPBETYAVWMHD-PPHPATTJSA-NInChI: InChI=1S/C11H14FNO2.ClH/c1-2-15-11(14)10(13)7-8-3-5-9(12)6-4-8;/h3-6,10H,2,7,13H2,1H3;1H/t10-;/m0./s1 -
4-Methylphenyl-L-alanineCas Number: 1991-87-3Formula: C10H13NO2 Molecular Weight: 179.22IUPAC Name: (2S)-2-amino-3-(4-methylphenyl)propanoic acidSMILES: CC1=CC=C(C=C1)CC(C(=O)O)NInChIKey: DQLHSFUMICQIMB-VIFPVBQESA-NInChI: InChI=1S/C10H13NO2/c1-7-2-4-8(5-3-7)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1Synonyms: H-Phe(4-Me)-OH | (2S)-2-Amino-3-(4-methylphenyl)propanoic acid | (S)-2-Amino-3-(p-tolyl)propanoic acid -
4-Bromo-D-Phe-OHCas Number: 62561-74-4 Compound CID: 671215Formula: C9H10BrNO2 Molecular Weight: 244.09IUPAC Name: (2R)-2-amino-3-(4-bromophenyl)propanoic acidSMILES: C1=CC(=CC=C1CC(C(=O)O)N)BrInChIKey: PEMUHKUIQHFMTH-MRVPVSSYSA-NInChI: InChI=1S/C9H10BrNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
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4-Bromo-2-fluoro-DL-phenylalanineCas Number: 439587-17-4 Compound CID: 4065824IUPAC Name: 2-amino-3-(4-bromo-2-fluorophenyl)propanoic acidSMILES: C1=CC(=C(C=C1Br)F)CC(C(=O)O)NInChIKey: MQJFVIRBPSXVRP-UHFFFAOYSA-NInChI: InChI=1S/C9H9BrFNO2/c10-6-2-1-5(7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,12H2,(H,13,14)
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4-Azido-L-phenylalanine hydrochlorideCas Number: 34670-43-4 Compound CID: 86585254Formula: C9H11ClN4O2 Molecular Weight: 242.66IUPAC Name: (2S)-2-amino-3-(4-azidophenyl)propanoic acid;hydrochlorideSMILES: C1=CC(=CC=C1CC(C(=O)O)N)N=[N+]=[N-].ClInChIKey: VXCXRGSRHCHMBK-QRPNPIFTSA-NInChI: InChI=1S/C9H10N4O2.ClH/c10-8(9(14)15)5-6-1-3-7(4-2-6)12-13-11;/h1-4,8H,5,10H2,(H,14,15);1H/t8-;/m0./s1
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(S)-2-Amino-3-(3-(trifluoromethyl)phenyl)propanoic acidCas Number: 14464-68-7 Compound CID: 2777600Formula: C10H10F3NO2 Molecular Weight: 233.19IUPAC Name: (2S)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acidSMILES: C1=CC(=CC(=C1)C(F)(F)F)CC(C(=O)O)NInChIKey: BURBNIPKSRJAIQ-QMMMGPOBSA-NInChI: InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-2-6(4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m0/s1
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(S)-3-Phenyl-2-(undec-10-enamido)propanoic acidCas Number: 175357-18-3 Compound CID: 10308702Formula: C20H29NO3 Molecular Weight: 331.4IUPAC Name: (2S)-3-phenyl-2-(undec-10-enoylamino)propanoic acidSMILES: C=CCCCCCCCCC(=O)NC(CC1=CC=CC=C1)C(=O)OInChIKey: RTBWWWVNZWFNBV-SFHVURJKSA-NInChI: InChI=1S/C20H29NO3/c1-2-3-4-5-6-7-8-12-15-19(22)21-18(20(23)24)16-17-13-10-9-11-14-17/h2,9-11,13-14,18H,1,3-8,12,15-16H2,(H,21,22)(H,23,24)/t18-/m0/s1
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(S)-Benzyl 2-amino-3-(3-(methylsulfonyl)phenyl)propanoate hydrochlorideCas Number: 1194550-59-8 Compound CID: 44514642Formula: C17H19NO4S•(HCl) Molecular Weight: 333.403646IUPAC Name: benzyl (2S)-2-amino-3-(3-methylsulfonylphenyl)propanoate;hydrochlorideSMILES: CS(=O)(=O)C1=CC=CC(=C1)CC(C(=O)OCC2=CC=CC=C2)N.ClInChIKey: QMFDSGLDMSBMLX-NTISSMGPSA-NInChI: InChI=1S/C17H19NO4S.ClH/c1-23(20,21)15-9-5-8-14(10-15)11-16(18)17(19)22-12-13-6-3-2-4-7-13;/h2-10,16H,11-12,18H2,1H3;1H/t16-;/m0./s1
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(S)-2-Amino-3-(4-sulfophenyl)propanoic acidCas Number: 34023-49-9Formula: C9H11NO5S Molecular Weight: 245.25SMILES: C1=CC(=CC=C1CC(C(=O)O)N)S(=O)(=O)OInChIKey: ALQIUGWFHKQQHV-QMMMGPOBSA-NInChI: InChI=1S/C9H11NO5S/c10-8(9(11)12)5-6-1-3-7(4-2-6)16(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H,13,14,15)/t8-/m0/s1
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3-(4-Acetylphenyl)-2-aminopropanoic acid hydrochlorideCas Number: 1360436-95-8Formula: C11H14ClNO3 Molecular Weight: 243.68IUPAC Name: 3-(4-acetylphenyl)-2-aminopropanoic acid;hydrochlorideSMILES: CC(=O)C1=CC=C(C=C1)CC(C(=O)O)N.ClInChIKey: TZRAOLAVYBTWGD-UHFFFAOYSA-NInChI: InChI=1S/C11H13NO3.ClH/c1-7(13)9-4-2-8(3-5-9)6-10(12)11(14)15;/h2-5,10H,6,12H2,1H3,(H,14,15);1H
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2-Cyano-N-Boc-DL-phenylalanineCas Number: 226924-21-6 Compound CID: 4393344Formula: C15H18N2O4 Molecular Weight: 290.31IUPAC Name: 3-(2-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acidSMILES: CC(C)(C)OC(=O)NC(CC1=CC=CC=C1C#N)C(=O)OInChIKey: AJHPGXZOIAYYDW-UHFFFAOYSA-NInChI: InChI=1S/C15H18N2O4/c1-15(2,3)21-14(20)17-12(13(18)19)8-10-6-4-5-7-11(10)9-16/h4-7,12H,8H2,1-3H3,(H,17,20)(H,18,19)
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2-Amino-3-(4-(tert-butyl)phenyl)propanoic acidCas Number: 98708-80-6Formula: C13H19NO2 Molecular Weight: 221.29IUPAC Name: 2-amino-3-(4-tert-butylphenyl)propanoic acidSMILES: CC(C)(C)C1=CC=C(C=C1)CC(C(=O)O)NInChIKey: CSJZKSXYLTYFPU-UHFFFAOYSA-NInChI: InChI=1S/C13H19NO2/c1-13(2,3)10-6-4-9(5-7-10)8-11(14)12(15)16/h4-7,11H,8,14H2,1-3H3,(H,15,16)
