1-[[4-methyl-1-oxidanylidene-1-[(2-oxidanylidene-1-azacyclotridec-3-yl)amino]pentan-2-yl]amino]pentylphosphonic acid

Systemtic Name: 1-[[4-methyl-1-oxidanylidene-1-[(2-oxidanylidene-1-azacyclotridec-3-yl)amino]pentan-2-yl]amino]pentylphosphonic acid Openeye Name: 1-[[3-methyl-1-[(2-oxo-azacyclotridec-3-yl)carbamoyl]butyl]amino]pentylphosphonic acid CAS Name: 1-[[4-methyl-1-oxo-1-[(2-oxo-azacyclotridec-3-yl)amino]pentan-2-yl]amino]pentylphosphonic acid IUPAC Name: 1-[[4-methyl-1-oxo-1-[(2-oxo-azacyclotridec-3-yl)amino]pentan-2-yl]amino]pentylphosphonic acid Traditional Name: 1-[[1-[(2-keto-azacyclotridec-3-yl)carbamoyl]-3-methyl-butyl]amino]pentylphosphonic acid Formula: C23H46N3O5P MolecularWeight: 475.602201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(NC(CC(C)C)C(=O)NC1CCCCCCCCCCNC1=O)P(=O)(O)O

Isomeric SMILES

CCCCC(NC(CC(C)C)C(=O)NC1CCCCCCCCCCNC1=O)P(=O)(O)O

InChI

InChI=1S/C23H46N3O5P/c1-4-5-15-21(32(29,30)31)25-20(17-18(2)3)23(28)26-19-14-12-10-8-6-7-9-11-13-16-24-22(19)27/h18-21,25H,4-17H2,1-3H3,(H,24,27)(H,26,28)(H2,29,30,31)