4-[[(2-azanyl-3-phenyl-propanoyl)amino]methyl]-5-methyl-furan-2-carboxylic acid

Systemtic Name: 4-[[(2-azanyl-3-phenyl-propanoyl)amino]methyl]-5-methyl-furan-2-carboxylic acid Openeye Name: 4-[[(2-amino-3-phenyl-propanoyl)amino]methyl]-5-methyl-furan-2-carboxylic acid CAS Name: 4-[[(2-amino-1-oxo-3-phenylpropyl)amino]methyl]-5-methyl-2-furancarboxylic acid IUPAC Name: 4-[[(2-amino-3-phenylpropanoyl)amino]methyl]-5-methylfuran-2-carboxylic acid Traditional Name: 5-methyl-4-[(phenylalanylamino)methyl]-2-furoic acid Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(=O)O)CNC(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CC1=C(C=C(O1)C(=O)O)CNC(=O)C(CC2=CC=CC=C2)N

InChI

InChI=1S/C16H18N2O4/c1-10-12(8-14(22-10)16(20)21)9-18-15(19)13(17)7-11-5-3-2-4-6-11/h2-6,8,13H,7,9,17H2,1H3,(H,18,19)(H,20,21)