[3-methyl-2-(naphthalen-2-ylcarbonylamino)pentanoyl]-oxidanylidene-(1-oxidanyl-6-oxidanylidene-6-phenylazanyl-hexan-3-yl)azanium

Systemtic Name: [3-methyl-2-(naphthalen-2-ylcarbonylamino)pentanoyl]-oxidanylidene-(1-oxidanyl-6-oxidanylidene-6-phenylazanyl-hexan-3-yl)azanium Openeye Name: [4-anilino-1-(2-hydroxyethyl)-4-oxo-butyl]-[3-methyl-2-(naphthalene-2-carbonylamino)pentanoyl]-oxo-ammonium CAS Name: (6-anilino-1-hydroxy-6-oxohexan-3-yl)-[3-methyl-2-[[2-naphthalenyl(oxo)methyl]amino]-1-oxopentyl]-oxoammonium IUPAC Name: (6-anilino-1-hydroxy-6-oxohexan-3-yl)-[3-methyl-2-(naphthalene-2-carbonylamino)pentanoyl]-oxoazanium Traditional Name: [4-anilino-1-(2-hydroxyethyl)-4-keto-butyl]-keto-[3-methyl-2-(2-naphthoylamino)pentanoyl]ammonium Formula: C29H34N3O5+ MolecularWeight: 504.59736

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[N+](=O)C(CCC(=O)NC1=CC=CC=C1)CCO)NC(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCC(C)C(C(=O)[N+](=O)C(CCC(=O)NC1=CC=CC=C1)CCO)NC(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C29H33N3O5/c1-3-20(2)27(31-28(35)23-14-13-21-9-7-8-10-22(21)19-23)29(36)32(37)25(17-18-33)15-16-26(34)30-24-11-5-4-6-12-24/h4-14,19-20,25,27,33H,3,15-18H2,1-2H3,(H-,30,31,34,35)/p+1