(2S)-5-azanyl-5-oxidanylidene-2-(9H-xanthen-9-ylamino)pentanoic acid

Systemtic Name: (2S)-5-azanyl-5-oxidanylidene-2-(9H-xanthen-9-ylamino)pentanoic acid Openeye Name: (2S)-5-amino-5-oxo-2-(9H-xanthen-9-ylamino)pentanoic acid CAS Name: (2S)-5-amino-5-oxo-2-(9H-xanthen-9-ylamino)pentanoic acid IUPAC Name: (2S)-5-amino-5-oxo-2-(9H-xanthen-9-ylamino)pentanoic acid Traditional Name: (2S)-5-amino-5-keto-2-(9H-xanthen-9-ylamino)valeric acid Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4/c19-16(21)10-9-13(18(22)23)20-17-11-5-1-3-7-14(11)24-15-8-4-2-6-12(15)17/h1-8,13,17,20H,9-10H2,(H2,19,21)(H,22,23)/t13-/m0/s1