(2S)-2-(2-benzamidoethanoyloxy)-5-[bis(azanyl)methylideneazaniumyl]pentanoate

Systemtic Name: (2S)-2-(2-benzamidoethanoyloxy)-5-[bis(azanyl)methylideneazaniumyl]pentanoate Openeye Name: (2S)-2-(2-benzamidoacetyl)oxy-5-(diaminomethyleneammonio)pentanoate CAS Name: (2S)-2-(2-benzamido-1-oxoethoxy)-5-(diaminomethylideneammonio)pentanoate IUPAC Name: (2S)-2-(2-benzamidoacetyl)oxy-5-(diaminomethylideneazaniumyl)pentanoate Traditional Name: (2S)-5-(diaminomethyleneammonio)-2-hippuroyloxy-valerate Formula: C15H20N4O5 MolecularWeight: 336.3431

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCC(=O)OC(CCC[NH+]=C(N)N)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCC(=O)O[C@@H](CCC[NH+]=C(N)N)C(=O)[O-]

InChI

InChI=1S/C15H20N4O5/c16-15(17)18-8-4-7-11(14(22)23)24-12(20)9-19-13(21)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,19,21)(H,22,23)(H4,16,17,18)/t11-/m0/s1