[2-(6-azanylhexanoylamino)-3-methyl-pentanoyl]-oxidanylidene-(1-oxidanyl-5-phenyl-pentan-3-yl)azanium

Systemtic Name: [2-(6-azanylhexanoylamino)-3-methyl-pentanoyl]-oxidanylidene-(1-oxidanyl-5-phenyl-pentan-3-yl)azanium Openeye Name: [2-(6-aminohexanoylamino)-3-methyl-pentanoyl]-[1-(2-hydroxyethyl)-3-phenyl-propyl]-oxo-ammonium CAS Name: [2-[(6-amino-1-oxohexyl)amino]-3-methyl-1-oxopentyl]-(1-hydroxy-5-phenylpentan-3-yl)-oxoammonium IUPAC Name: [2-(6-aminohexanoylamino)-3-methylpentanoyl]-(1-hydroxy-5-phenylpentan-3-yl)-oxoazanium Traditional Name: [2-(6-aminohexanoylamino)-3-methyl-pentanoyl]-[1-(2-hydroxyethyl)-3-phenyl-propyl]-keto-ammonium Formula: C23H38N3O4+ MolecularWeight: 420.56552

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[N+](=O)C(CCC1=CC=CC=C1)CCO)NC(=O)CCCCCN

Isomeric SMILES

CCC(C)C(C(=O)[N+](=O)C(CCC1=CC=CC=C1)CCO)NC(=O)CCCCCN

InChI

InChI=1S/C23H37N3O4/c1-3-18(2)22(25-21(28)12-8-5-9-16-24)23(29)26(30)20(15-17-27)14-13-19-10-6-4-7-11-19/h4,6-7,10-11,18,20,22,27H,3,5,8-9,12-17,24H2,1-2H3/p+1