(2S)-2-[2-(1,2-benzoxazol-3-yl)ethanoylamino]propanoic acid

Systemtic Name: (2S)-2-[2-(1,2-benzoxazol-3-yl)ethanoylamino]propanoic acid Openeye Name: (2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]propanoic acid CAS Name: (2S)-2-[[2-(1,2-benzoxazol-3-yl)-1-oxoethyl]amino]propanoic acid IUPAC Name: (2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]propanoic acid Traditional Name: (2S)-2-[(2-indoxazen-3-ylacetyl)amino]propionic acid Formula: C12H12N2O4 MolecularWeight: 248.23468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)CC1=NOC2=CC=CC=C21

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)CC1=NOC2=CC=CC=C21

InChI

InChI=1S/C12H12N2O4/c1-7(12(16)17)13-11(15)6-9-8-4-2-3-5-10(8)18-14-9/h2-5,7H,6H2,1H3,(H,13,15)(H,16,17)/t7-/m0/s1