(2S)-2-azaniumyl-5-oxidanylidene-5-[[4-[(2S)-2-oxidanyl-2-phenyl-ethoxy]phenyl]amino]pentanoate

Systemtic Name: (2S)-2-azaniumyl-5-oxidanylidene-5-[[4-[(2S)-2-oxidanyl-2-phenyl-ethoxy]phenyl]amino]pentanoate Openeye Name: (2S)-2-azaniumyl-5-[4-[(2S)-2-hydroxy-2-phenyl-ethoxy]anilino]-5-oxo-pentanoate CAS Name: (2S)-2-ammonio-5-[4-[(2S)-2-hydroxy-2-phenylethoxy]anilino]-5-oxopentanoate IUPAC Name: (2S)-2-azaniumyl-5-[4-[(2S)-2-hydroxy-2-phenylethoxy]anilino]-5-oxopentanoate Traditional Name: (2S)-2-ammonio-5-[4-[(2S)-2-hydroxy-2-phenyl-ethoxy]anilino]-5-keto-valerate Formula: C19H22N2O5 MolecularWeight: 358.38838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(COC2=CC=C(C=C2)NC(=O)CCC(C(=O)[O-])[NH3+])O

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](COC2=CC=C(C=C2)NC(=O)CC[C@@H](C(=O)[O-])[NH3+])O

InChI

InChI=1S/C19H22N2O5/c20-16(19(24)25)10-11-18(23)21-14-6-8-15(9-7-14)26-12-17(22)13-4-2-1-3-5-13/h1-9,16-17,22H,10-12,20H2,(H,21,23)(H,24,25)/t16-,17+/m0/s1