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

Systemtic Name: (2S,3S)-2-[2-(1,2-benzoxazol-3-yl)ethanoylamino]-3-oxidanyl-butanoic acid Openeye Name: (2S,3S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-3-hydroxy-butanoic acid CAS Name: (2S,3S)-2-[[2-(1,2-benzoxazol-3-yl)-1-oxoethyl]amino]-3-hydroxybutanoic acid IUPAC Name: (2S,3S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-3-hydroxybutanoic acid Traditional Name: (2S,3S)-3-hydroxy-2-[(2-indoxazen-3-ylacetyl)amino]butyric acid Formula: C13H14N2O5 MolecularWeight: 278.26066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O5/c1-7(16)12(13(18)19)14-11(17)6-9-8-4-2-3-5-10(8)20-15-9/h2-5,7,12,16H,6H2,1H3,(H,14,17)(H,18,19)/t7-,12-/m0/s1