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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCCCCCCCCNC1=O)NCCCP(=O)(O)O

Isomeric SMILES

CC(C)CC(C(=O)NC1CCCCCCCCCCNC1=O)NCCCP(=O)(O)O

InChI

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