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

Systemtic Name: 1-[[4-methyl-1-oxidanylidene-1-[(2-oxidanylidene-1-azacyclotridec-1-yl)amino]pentan-2-yl]amino]propylphosphonic acid Openeye Name: 1-[[3-methyl-1-[(2-oxo-azacyclotridec-1-yl)carbamoyl]butyl]amino]propylphosphonic acid CAS Name: 1-[[4-methyl-1-oxo-1-[(2-oxo-azacyclotridec-1-yl)amino]pentan-2-yl]amino]propylphosphonic acid IUPAC Name: 1-[[4-methyl-1-oxo-1-[(2-oxo-azacyclotridec-1-yl)amino]pentan-2-yl]amino]propylphosphonic acid Traditional Name: 1-[[1-[(2-keto-azacyclotridec-1-yl)carbamoyl]-3-methyl-butyl]amino]propylphosphonic acid Formula: C21H42N3O5P MolecularWeight: 447.549041

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC(CC(C)C)C(=O)NN1CCCCCCCCCCCC1=O)P(=O)(O)O

Isomeric SMILES

CCC(NC(CC(C)C)C(=O)NN1CCCCCCCCCCCC1=O)P(=O)(O)O

InChI

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