(2R)-2-[(3-azanyl-3,3-diphosphono-propyl)amino]-3-phenyl-propanoic acid

Systemtic Name: (2R)-2-[(3-azanyl-3,3-diphosphono-propyl)amino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[(3-amino-3,3-diphosphono-propyl)amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[(3-amino-3,3-diphosphonopropyl)amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[(3-amino-3,3-diphosphonopropyl)amino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[(3-amino-3,3-diphosphono-propyl)amino]-3-phenyl-propionic acid Formula: C12H20N2O8P2 MolecularWeight: 382.243322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NCCC(N)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)O)NCCC(N)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C12H20N2O8P2/c13-12(23(17,18)19,24(20,21)22)6-7-14-10(11(15)16)8-9-4-2-1-3-5-9/h1-5,10,14H,6-8,13H2,(H,15,16)(H2,17,18,19)(H2,20,21,22)/t10-/m1/s1