2-[azanyl(phenylmethoxycarbonyl)amino]propanoyl-oxidanylidene-(1-oxidanyl-5-phenyl-pentan-3-yl)azanium hydrochloride

Systemtic Name: 2-[azanyl(phenylmethoxycarbonyl)amino]propanoyl-oxidanylidene-(1-oxidanyl-5-phenyl-pentan-3-yl)azanium hydrochloride Openeye Name: 2-[amino(benzyloxycarbonyl)amino]propanoyl-[1-(2-hydroxyethyl)-3-phenyl-propyl]-oxo-ammonium hydrochloride CAS Name: [2-[amino(phenylmethoxycarbonyl)amino]-1-oxopropyl]-(1-hydroxy-5-phenylpentan-3-yl)-oxoammonium hydrochloride IUPAC Name: 2-[amino(phenylmethoxycarbonyl)amino]propanoyl-(1-hydroxy-5-phenylpentan-3-yl)-oxoazanium hydrochloride Traditional Name: 2-[amino(carbobenzoxy)amino]propanoyl-[1-(2-hydroxyethyl)-3-phenyl-propyl]-keto-ammonium hydrochloride Formula: C22H29ClN3O5+ MolecularWeight: 450.93576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[N+](=O)C(CCC1=CC=CC=C1)CCO)N(C(=O)OCC2=CC=CC=C2)N.Cl

Isomeric SMILES

CC(C(=O)[N+](=O)C(CCC1=CC=CC=C1)CCO)N(C(=O)OCC2=CC=CC=C2)N.Cl

InChI

InChI=1S/C22H28N3O5.ClH/c1-17(24(23)22(28)30-16-19-10-6-3-7-11-19)21(27)25(29)20(14-15-26)13-12-18-8-4-2-5-9-18;/h2-11,17,20,26H,12-16,23H2,1H3;1H/q+1;