3-[2-methylpropyl-[[5-(1-methylpyrrol-2-yl)-1,2-oxazol-3-yl]carbonyl]amino]propanoic acid

Systemtic Name: 3-[2-methylpropyl-[[5-(1-methylpyrrol-2-yl)-1,2-oxazol-3-yl]carbonyl]amino]propanoic acid Openeye Name: 3-[isobutyl-[5-(1-methylpyrrol-2-yl)isoxazole-3-carbonyl]amino]propanoic acid CAS Name: 3-[2-methylpropyl-[[5-(1-methyl-2-pyrrolyl)-3-isoxazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[2-methylpropyl-[5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid Traditional Name: 3-[isobutyl-[5-(1-methylpyrrol-2-yl)isoxazole-3-carbonyl]amino]propionic acid Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CCC(=O)O)C(=O)C1=NOC(=C1)C2=CC=CN2C

Isomeric SMILES

CC(C)CN(CCC(=O)O)C(=O)C1=NOC(=C1)C2=CC=CN2C

InChI

InChI=1S/C16H21N3O4/c1-11(2)10-19(8-6-15(20)21)16(22)12-9-14(23-17-12)13-5-4-7-18(13)3/h4-5,7,9,11H,6,8,10H2,1-3H3,(H,20,21)