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

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

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

Isomeric SMILES

CCC(N[C@@H](CC(C)C)C(=O)NC1CCCCCCCCCCNC1=O)P(=O)(O)O

InChI

InChI=1S/C21H42N3O5P/c1-4-19(30(27,28)29)23-18(15-16(2)3)21(26)24-17-13-11-9-7-5-6-8-10-12-14-22-20(17)25/h16-19,23H,4-15H2,1-3H3,(H,22,25)(H,24,26)(H2,27,28,29)/t17?,18-,19?/m0/s1