3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamoyl-(phenylmethyl)amino]propanoic acid

Systemtic Name: 3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamoyl-(phenylmethyl)amino]propanoic acid Openeye Name: 3-[benzyl-[(5-methyl-3-phenyl-isoxazol-4-yl)carbamoyl]amino]propanoic acid CAS Name: 3-[[[(5-methyl-3-phenyl-4-isoxazolyl)amino]-oxomethyl]-(phenylmethyl)amino]propanoic acid IUPAC Name: 3-[benzyl-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamoyl]amino]propanoic acid Traditional Name: 3-[benzyl-[(5-methyl-3-phenyl-isoxazol-4-yl)carbamoyl]amino]propionic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)NC(=O)N(CCC(=O)O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)NC(=O)N(CCC(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4/c1-15-19(20(23-28-15)17-10-6-3-7-11-17)22-21(27)24(13-12-18(25)26)14-16-8-4-2-5-9-16/h2-11H,12-14H2,1H3,(H,22,27)(H,25,26)