(2S)-4-azanyl-4-oxidanylidene-2-[(3-phenyl-2,1-benzoxazol-5-yl)carbonylamino]butanoate

Systemtic Name: (2S)-4-azanyl-4-oxidanylidene-2-[(3-phenyl-2,1-benzoxazol-5-yl)carbonylamino]butanoate Openeye Name: (2S)-4-amino-4-oxo-2-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]butanoate CAS Name: (2S)-4-amino-4-oxo-2-[[oxo-(3-phenyl-2,1-benzoxazol-5-yl)methyl]amino]butanoate IUPAC Name: (2S)-4-amino-4-oxo-2-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]butanoate Traditional Name: (2S)-4-amino-4-keto-2-[(3-phenylanthranil-5-carbonyl)amino]butyrate Formula: C18H14N3O5- MolecularWeight: 352.32086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C(=O)NC(CC(=O)N)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C(=O)N[C@@H](CC(=O)N)C(=O)[O-]

InChI

InChI=1S/C18H15N3O5/c19-15(22)9-14(18(24)25)20-17(23)11-6-7-13-12(8-11)16(26-21-13)10-4-2-1-3-5-10/h1-8,14H,9H2,(H2,19,22)(H,20,23)(H,24,25)/p-1/t14-/m0/s1