2-azanyl-3-phenyl-propanoic acid; 2-(naphthalen-1-ylamino)propanoic acid; 2-(pyren-1-ylamino)propanoic acid

Systemtic Name: 2-azanyl-3-phenyl-propanoic acid; 2-(naphthalen-1-ylamino)propanoic acid; 2-(pyren-1-ylamino)propanoic acid Openeye Name: 2-amino-3-phenyl-propanoic acid; 2-(1-naphthylamino)propanoic acid; 2-(pyren-1-ylamino)propanoic acid CAS Name: 2-amino-3-phenylpropanoic acid; 2-(1-naphthalenylamino)propanoic acid; 2-(1-pyrenylamino)propanoic acid IUPAC Name: 2-amino-3-phenylpropanoic acid; 2-(naphthalen-1-ylamino)propanoic acid; 2-(pyren-1-ylamino)propanoic acid Traditional Name: 2-amino-3-phenyl-propionic acid; 2-(1-naphthylamino)propionic acid; 2-(pyren-1-ylamino)propionic acid Formula: C50H50N4O8 MolecularWeight: 834.954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1.CC(C(=O)O)NC1=CC=CC2=CC=CC=C21.C1=CC=C(C=C1)CC(C(=O)O)N.C1=CC=C(C=C1)CC(C(=O)O)N

Isomeric SMILES

CC(C(=O)O)NC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1.CC(C(=O)O)NC1=CC=CC2=CC=CC=C21.C1=CC=C(C=C1)CC(C(=O)O)N.C1=CC=C(C=C1)CC(C(=O)O)N

InChI

InChI=1S/C19H15NO2.C13H13NO2.2C9H11NO2/c1-11(19(21)22)20-16-10-8-14-6-5-12-3-2-4-13-7-9-15(16)18(14)17(12)13;1-9(13(15)16)14-12-8-4-6-10-5-2-3-7-11(10)12;2*10-8(9(11)12)6-7-4-2-1-3-5-7/h2-11,20H,1H3,(H,21,22);2-9,14H,1H3,(H,15,16);2*1-5,8H,6,10H2,(H,11,12)