(2S)-4-azanyl-2-[2-(1,2-benzoxazol-3-yl)ethanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-4-azanyl-2-[2-(1,2-benzoxazol-3-yl)ethanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-amino-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-4-oxo-butanoic acid CAS Name: (2S)-4-amino-2-[[2-(1,2-benzoxazol-3-yl)-1-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: (2S)-4-amino-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-4-oxobutanoic acid Traditional Name: (2S)-4-amino-2-[(2-indoxazen-3-ylacetyl)amino]-4-keto-butyric acid Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NO2)CC(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NO2)CC(=O)N[C@@H](CC(=O)N)C(=O)O

InChI

InChI=1S/C13H13N3O5/c14-11(17)5-9(13(19)20)15-12(18)6-8-7-3-1-2-4-10(7)21-16-8/h1-4,9H,5-6H2,(H2,14,17)(H,15,18)(H,19,20)/t9-/m0/s1