9-azanyl-2-(2-azanyl-2-phenyl-ethyl)-5-isocyanato-2-oxidanyl-4-oxidanylidene-3-phosphorosooxy-nonanal

Systemtic Name: 9-azanyl-2-(2-azanyl-2-phenyl-ethyl)-5-isocyanato-2-oxidanyl-4-oxidanylidene-3-phosphorosooxy-nonanal Openeye Name: 9-amino-2-(2-amino-2-phenyl-ethyl)-2-hydroxy-5-isocyanato-4-oxo-3-phosphorosooxy-nonanal CAS Name: 9-amino-2-(2-amino-2-phenylethyl)-2-hydroxy-5-isocyanato-4-oxo-3-phosphorosooxynonanal IUPAC Name: 9-amino-2-(2-amino-2-phenylethyl)-2-hydroxy-5-isocyanato-4-oxo-3-phosphorosooxynonanal Traditional Name: 9-amino-2-(2-amino-2-phenyl-ethyl)-2-hydroxy-5-isocyanato-4-keto-3-phosphorosooxy-pelargonaldehyde Formula: C18H24N3O6P MolecularWeight: 409.373421

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(C=O)(C(C(=O)C(CCCCN)N=C=O)OP=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C(CC(C=O)(C(C(=O)C(CCCCN)N=C=O)OP=O)O)N

InChI

InChI=1S/C18H24N3O6P/c19-9-5-4-8-15(21-12-23)16(24)17(27-28-26)18(25,11-22)10-14(20)13-6-2-1-3-7-13/h1-3,6-7,11,14-15,17,25H,4-5,8-10,19-20H2