(2S)-6-[azanyl(nitramido)methylidene]azaniumyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate

Systemtic Name: (2S)-6-[azanyl(nitramido)methylidene]azaniumyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate Openeye Name: (2S)-6-[amino(nitramido)methylene]ammonio-2-(tert-butoxycarbonylamino)hexanoate CAS Name: (2S)-6-[amino(nitramido)methylidene]ammonio-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoate IUPAC Name: (2S)-6-[amino(nitramido)methylidene]azaniumyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate Traditional Name: (2S)-6-[amino(nitramido)methylene]ammonio-2-(tert-butoxycarbonylamino)hexanoate Formula: C12H23N5O6 MolecularWeight: 333.34092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H23N5O6/c1-12(2,3)23-11(20)15-8(9(18)19)6-4-5-7-14-10(13)16-17(21)22/h8H,4-7H2,1-3H3,(H,15,20)(H,18,19)(H3,13,14,16)/t8-/m0/s1