(2S)-4-azanyl-4-oxidanylidene-2-(9H-xanthen-9-ylamino)butanoic acid

Systemtic Name: (2S)-4-azanyl-4-oxidanylidene-2-(9H-xanthen-9-ylamino)butanoic acid Openeye Name: (2S)-4-amino-4-oxo-2-(9H-xanthen-9-ylamino)butanoic acid CAS Name: (2S)-4-amino-4-oxo-2-(9H-xanthen-9-ylamino)butanoic acid IUPAC Name: (2S)-4-amino-4-oxo-2-(9H-xanthen-9-ylamino)butanoic acid Traditional Name: (2S)-4-amino-4-keto-2-(9H-xanthen-9-ylamino)butyric acid Formula: C17H16N2O4 MolecularWeight: 312.31994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)NC(CC(=O)N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)N[C@@H](CC(=O)N)C(=O)O

InChI

InChI=1S/C17H16N2O4/c18-15(20)9-12(17(21)22)19-16-10-5-1-3-7-13(10)23-14-8-4-2-6-11(14)16/h1-8,12,16,19H,9H2,(H2,18,20)(H,21,22)/t12-/m0/s1