2-[2-[(3-azanyl-3,3-diphosphono-propyl)amino]ethanoylamino]ethanoic acid dihydrate

Systemtic Name: 2-[2-[(3-azanyl-3,3-diphosphono-propyl)amino]ethanoylamino]ethanoic acid dihydrate Openeye Name: 2-[[2-[(3-amino-3,3-diphosphono-propyl)amino]acetyl]amino]acetic acid dihydrate CAS Name: 2-[[2-[(3-amino-3,3-diphosphonopropyl)amino]-1-oxoethyl]amino]acetic acid dihydrate IUPAC Name: 2-[[2-[(3-amino-3,3-diphosphonopropyl)amino]acetyl]amino]acetic acid dihydrate Traditional Name: 2-[[2-[(3-amino-3,3-diphosphono-propyl)amino]acetyl]amino]acetic acid dihydrate Formula: C7H21N3O11P2 MolecularWeight: 385.202662

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Descriptors Computed from Structure

Canonical SMILES:

C(CNCC(=O)NCC(=O)O)C(N)(P(=O)(O)O)P(=O)(O)O.O.O

Isomeric SMILES

C(CNCC(=O)NCC(=O)O)C(N)(P(=O)(O)O)P(=O)(O)O.O.O

InChI

InChI=1S/C7H17N3O9P2.2H2O/c8-7(20(14,15)16,21(17,18)19)1-2-9-3-5(11)10-4-6(12)13;;/h9H,1-4,8H2,(H,10,11)(H,12,13)(H2,14,15,16)(H2,17,18,19);2*1H2