[3-methyl-2-(pyrazin-2-ylcarbonylamino)pentanoyl]-oxidanylidene-(1-phenyl-5-phenylmethoxy-pentan-3-yl)azanium

Systemtic Name: [3-methyl-2-(pyrazin-2-ylcarbonylamino)pentanoyl]-oxidanylidene-(1-phenyl-5-phenylmethoxy-pentan-3-yl)azanium Openeye Name: [1-(2-benzyloxyethyl)-3-phenyl-propyl]-[3-methyl-2-(pyrazine-2-carbonylamino)pentanoyl]-oxo-ammonium CAS Name: [3-methyl-1-oxo-2-[[oxo(2-pyrazinyl)methyl]amino]pentyl]-oxo-(1-phenyl-5-phenylmethoxypentan-3-yl)ammonium IUPAC Name: [3-methyl-2-(pyrazine-2-carbonylamino)pentanoyl]-oxo-(1-phenyl-5-phenylmethoxypentan-3-yl)azanium Traditional Name: [1-(2-benzoxyethyl)-3-phenyl-propyl]-keto-[3-methyl-2-(pyrazinoylamino)pentanoyl]ammonium Formula: C29H35N4O4+ MolecularWeight: 503.6126

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[N+](=O)C(CCC1=CC=CC=C1)CCOCC2=CC=CC=C2)NC(=O)C3=NC=CN=C3

Isomeric SMILES

CCC(C)C(C(=O)[N+](=O)C(CCC1=CC=CC=C1)CCOCC2=CC=CC=C2)NC(=O)C3=NC=CN=C3

InChI

InChI=1S/C29H34N4O4/c1-3-22(2)27(32-28(34)26-20-30-17-18-31-26)29(35)33(36)25(15-14-23-10-6-4-7-11-23)16-19-37-21-24-12-8-5-9-13-24/h4-13,17-18,20,22,25,27H,3,14-16,19,21H2,1-2H3/p+1