[4-[(2S)-2,3-bis(azanyl)-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate

Systemtic Name: [4-[(2S)-2,3-bis(azanyl)-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate Openeye Name: [4-[(2S)-2,3-diamino-3-oxo-propyl]phenyl] dihydrogen phosphate CAS Name: [4-[(2S)-2,3-diamino-3-oxopropyl]phenyl] dihydrogen phosphate IUPAC Name: [4-[(2S)-2,3-diamino-3-oxopropyl]phenyl] dihydrogen phosphate Traditional Name: [4-[(2S)-2,3-diamino-3-keto-propyl]phenyl] dihydrogen phosphate Formula: C9H13N2O5P MolecularWeight: 260.183681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)N)N)OP(=O)(O)O

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)N)N)OP(=O)(O)O

InChI

InChI=1S/C9H13N2O5P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H2,11,12)(H2,13,14,15)/t8-/m0/s1