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

Systemtic Name: (2S)-2-[2-(1,2-benzoxazol-3-yl)ethanoylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[2-(1,2-benzoxazol-3-yl)-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[(2-indoxazen-3-ylacetyl)amino]-3-methyl-butyric acid Formula: C14H16N2O4 MolecularWeight: 276.28784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O4/c1-8(2)13(14(18)19)15-12(17)7-10-9-5-3-4-6-11(9)20-16-10/h3-6,8,13H,7H2,1-2H3,(H,15,17)(H,18,19)/t13-/m0/s1