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

Systemtic Name: [2-(6-azanylhexanoylamino)-3-methyl-pentanoyl]-oxidanylidene-(1-oxidanyl-5-phenyl-pentan-3-yl)azanium hydrochloride Openeye Name: [2-(6-aminohexanoylamino)-3-methyl-pentanoyl]-[1-(2-hydroxyethyl)-3-phenyl-propyl]-oxo-ammonium hydrochloride CAS Name: [2-[(6-amino-1-oxohexyl)amino]-3-methyl-1-oxopentyl]-(1-hydroxy-5-phenylpentan-3-yl)-oxoammonium hydrochloride IUPAC Name: [2-(6-aminohexanoylamino)-3-methylpentanoyl]-(1-hydroxy-5-phenylpentan-3-yl)-oxoazanium hydrochloride Traditional Name: [2-(6-aminohexanoylamino)-3-methyl-pentanoyl]-[1-(2-hydroxyethyl)-3-phenyl-propyl]-keto-ammonium hydrochloride Formula: C23H39ClN3O4+ MolecularWeight: 457.02646

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H37N3O4.ClH/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;1H/p+1