[5-[(3-azanyl-2-oxidanyl-4-phenyl-butyl)amino]-3,4-dimethyl-pentanoyl]-tert-butyl-oxidanylidene-azanium

Systemtic Name: [5-[(3-azanyl-2-oxidanyl-4-phenyl-butyl)amino]-3,4-dimethyl-pentanoyl]-tert-butyl-oxidanylidene-azanium Openeye Name: [5-[(3-amino-2-hydroxy-4-phenyl-butyl)amino]-3,4-dimethyl-pentanoyl]-tert-butyl-oxo-ammonium CAS Name: [5-[(3-amino-2-hydroxy-4-phenylbutyl)amino]-3,4-dimethyl-1-oxopentyl]-tert-butyl-oxoammonium IUPAC Name: [5-[(3-amino-2-hydroxy-4-phenylbutyl)amino]-3,4-dimethylpentanoyl]-tert-butyl-oxoazanium Traditional Name: [5-[(3-amino-2-hydroxy-4-phenyl-butyl)amino]-3,4-dimethyl-pentanoyl]-tert-butyl-keto-ammonium Formula: C21H36N3O3+ MolecularWeight: 378.52884

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)[N+](=O)C(C)(C)C)C(C)CNCC(C(CC1=CC=CC=C1)N)O

Isomeric SMILES

CC(CC(=O)[N+](=O)C(C)(C)C)C(C)CNCC(C(CC1=CC=CC=C1)N)O

InChI

InChI=1S/C21H36N3O3/c1-15(11-20(26)24(27)21(3,4)5)16(2)13-23-14-19(25)18(22)12-17-9-7-6-8-10-17/h6-10,15-16,18-19,23,25H,11-14,22H2,1-5H3/q+1