6-azanyl-2-[[3,3-dimethyl-1-(3-phenylpropanoylamino)butyl]-oxidanyl-phosphoryl]oxy-hexanoic acid

Systemtic Name: 6-azanyl-2-[[3,3-dimethyl-1-(3-phenylpropanoylamino)butyl]-oxidanyl-phosphoryl]oxy-hexanoic acid Openeye Name: 6-amino-2-[[3,3-dimethyl-1-(3-phenylpropanoylamino)butyl]-hydroxy-phosphoryl]oxy-hexanoic acid CAS Name: 6-amino-2-[[3,3-dimethyl-1-[(1-oxo-3-phenylpropyl)amino]butyl]-hydroxyphosphoryl]oxyhexanoic acid IUPAC Name: 6-amino-2-[[3,3-dimethyl-1-(3-phenylpropanoylamino)butyl]-hydroxyphosphoryl]oxyhexanoic acid Traditional Name: 6-amino-2-[[1-(hydrocinnamoylamino)-3,3-dimethyl-butyl]-hydroxy-phosphoryl]oxy-hexanoic acid Formula: C21H35N2O6P MolecularWeight: 442.486161

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(NC(=O)CCC1=CC=CC=C1)P(=O)(O)OC(CCCCN)C(=O)O

Isomeric SMILES

CC(C)(C)CC(NC(=O)CCC1=CC=CC=C1)P(=O)(O)OC(CCCCN)C(=O)O

InChI

InChI=1S/C21H35N2O6P/c1-21(2,3)15-19(23-18(24)13-12-16-9-5-4-6-10-16)30(27,28)29-17(20(25)26)11-7-8-14-22/h4-6,9-10,17,19H,7-8,11-15,22H2,1-3H3,(H,23,24)(H,25,26)(H,27,28)