methylimino-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-4-[(phenylmethyl)amino]butyl]-oxidanidyl-azanium

Systemtic Name: methylimino-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-4-[(phenylmethyl)amino]butyl]-oxidanidyl-azanium Openeye Name: [(3S)-4-(benzylamino)-3-(tert-butoxycarbonylamino)-4-oxo-butyl]-methylimino-oxido-ammonium CAS Name: methylimino-[(3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-4-[(phenylmethyl)amino]butyl]-oxidoammonium IUPAC Name: [(3S)-4-(benzylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutyl]-methylimino-oxidoazanium Traditional Name: [(3S)-4-(benzylamino)-3-(tert-butoxycarbonylamino)-4-keto-butyl]-methylimino-oxido-ammonium Formula: C17H26N4O4 MolecularWeight: 350.41274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC[N+](=NC)[O-])C(=O)NCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC[N+](=NC)[O-])C(=O)NCC1=CC=CC=C1

InChI

InChI=1S/C17H26N4O4/c1-17(2,3)25-16(23)20-14(10-11-21(24)18-4)15(22)19-12-13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3,(H,19,22)(H,20,23)/t14-/m0/s1