(2S)-6-[bis(azanyl)methylideneazaniumyl]-2-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: (2S)-6-[bis(azanyl)methylideneazaniumyl]-2-(phenylmethoxycarbonylamino)hexanoate Openeye Name: (2S)-2-(benzyloxycarbonylamino)-6-(diaminomethyleneammonio)hexanoate CAS Name: (2S)-6-(diaminomethylideneammonio)-2-(phenylmethoxycarbonylamino)hexanoate IUPAC Name: (2S)-6-(diaminomethylideneazaniumyl)-2-(phenylmethoxycarbonylamino)hexanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-6-(diaminomethyleneammonio)hexanoate Formula: C15H22N4O4 MolecularWeight: 322.35958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCCC[NH+]=C(N)N)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CCCC[NH+]=C(N)N)C(=O)[O-]

InChI

InChI=1S/C15H22N4O4/c16-14(17)18-9-5-4-8-12(13(20)21)19-15(22)23-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,19,22)(H,20,21)(H4,16,17,18)/t12-/m0/s1