2-azanyl-3-[3-[[aziridin-1-yl-(2-hydroxyethylamino)phosphinothioyl]amino]phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-[[aziridin-1-yl-(2-hydroxyethylamino)phosphinothioyl]amino]phenyl]propanoic acid Openeye Name: 2-amino-3-[3-[[aziridin-1-yl-(2-hydroxyethylamino)phosphinothioyl]amino]phenyl]propanoic acid CAS Name: 2-amino-3-[3-[[1-aziridinyl-(2-hydroxyethylamino)phosphinothioyl]amino]phenyl]propanoic acid IUPAC Name: 2-amino-3-[3-[[aziridin-1-yl-(2-hydroxyethylamino)phosphinothioyl]amino]phenyl]propanoic acid Traditional Name: 2-amino-3-[3-[[ethylenimino-(2-hydroxyethylamino)thiophosphoryl]amino]phenyl]propionic acid Formula: C13H21N4O3PS MolecularWeight: 344.369601

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1P(=S)(NCCO)NC2=CC=CC(=C2)CC(C(=O)O)N

Isomeric SMILES

C1CN1P(=S)(NCCO)NC2=CC=CC(=C2)CC(C(=O)O)N

InChI

InChI=1S/C13H21N4O3PS/c14-12(13(19)20)9-10-2-1-3-11(8-10)16-21(22,15-4-7-18)17-5-6-17/h1-3,8,12,18H,4-7,9,14H2,(H,19,20)(H2,15,16,22)