3-[4-[bis(aziridin-1-yl)phosphinothioylamino]phenyl]propanoic acid

Systemtic Name: 3-[4-[bis(aziridin-1-yl)phosphinothioylamino]phenyl]propanoic acid Openeye Name: 3-[4-[bis(aziridin-1-yl)phosphinothioylamino]phenyl]propanoic acid CAS Name: 3-[4-[bis(1-aziridinyl)phosphinothioylamino]phenyl]propanoic acid IUPAC Name: 3-[4-[bis(aziridin-1-yl)phosphinothioylamino]phenyl]propanoic acid Traditional Name: 3-[4-(diethyleniminothiophosphorylamino)phenyl]propionic acid Formula: C13H18N3O2PS MolecularWeight: 311.339681

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1P(=S)(NC2=CC=C(C=C2)CCC(=O)O)N3CC3

Isomeric SMILES

C1CN1P(=S)(NC2=CC=C(C=C2)CCC(=O)O)N3CC3

InChI

InChI=1S/C13H18N3O2PS/c17-13(18)6-3-11-1-4-12(5-2-11)14-19(20,15-7-8-15)16-9-10-16/h1-2,4-5H,3,6-10H2,(H,14,20)(H,17,18)