1-[(2-azanyl-4-methyl-pentanoyl)-(2-oxidanylidene-1-azacyclotridec-1-yl)amino]propylphosphonic acid

Systemtic Name: 1-[(2-azanyl-4-methyl-pentanoyl)-(2-oxidanylidene-1-azacyclotridec-1-yl)amino]propylphosphonic acid Openeye Name: 1-[(2-amino-4-methyl-pentanoyl)-(2-oxo-azacyclotridec-1-yl)amino]propylphosphonic acid CAS Name: 1-[(2-amino-4-methyl-1-oxopentyl)-(2-oxo-azacyclotridec-1-yl)amino]propylphosphonic acid IUPAC Name: 1-[(2-amino-4-methylpentanoyl)-(2-oxo-azacyclotridec-1-yl)amino]propylphosphonic acid Traditional Name: 1-[(2-amino-4-methyl-pentanoyl)-(2-keto-azacyclotridec-1-yl)amino]propylphosphonic acid Formula: C21H42N3O5P MolecularWeight: 447.549041

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N(C(=O)C(CC(C)C)N)N1CCCCCCCCCCCC1=O)P(=O)(O)O

Isomeric SMILES

CCC(N(C(=O)C(CC(C)C)N)N1CCCCCCCCCCCC1=O)P(=O)(O)O

InChI

InChI=1S/C21H42N3O5P/c1-4-20(30(27,28)29)24(21(26)18(22)16-17(2)3)23-15-13-11-9-7-5-6-8-10-12-14-19(23)25/h17-18,20H,4-16,22H2,1-3H3,(H2,27,28,29)