3-[4-[3-(carboxylatoamino)propyl-(phenylmethyl)amino]butylamino]-2-fluoranyl-3-oxidanylidene-propanoate

Systemtic Name: 3-[4-[3-(carboxylatoamino)propyl-(phenylmethyl)amino]butylamino]-2-fluoranyl-3-oxidanylidene-propanoate Openeye Name: 3-[4-[benzyl-[3-(carboxylatoamino)propyl]amino]butylamino]-2-fluoro-3-oxo-propanoate CAS Name: 3-[4-[3-(carboxylatoamino)propyl-(phenylmethyl)amino]butylamino]-2-fluoro-3-oxopropanoate IUPAC Name: 3-[4-[benzyl-[3-(carboxylatoamino)propyl]amino]butylamino]-2-fluoro-3-oxopropanoate Traditional Name: 3-[4-[benzyl-[3-(carboxylatoamino)propyl]amino]butylamino]-2-fluoro-3-keto-propionate Formula: C18H24FN3O5-2 MolecularWeight: 381.398663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCCCNC(=O)C(C(=O)[O-])F)CCCNC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(CCCCNC(=O)C(C(=O)[O-])F)CCCNC(=O)[O-]

InChI

InChI=1S/C18H26FN3O5/c19-15(17(24)25)16(23)20-9-4-5-11-22(12-6-10-21-18(26)27)13-14-7-2-1-3-8-14/h1-3,7-8,15,21H,4-6,9-13H2,(H,20,23)(H,24,25)(H,26,27)/p-2