2-[2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethanoylamino]ethanoic acid trihydrate

Systemtic Name: 2-[2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethanoylamino]ethanoic acid trihydrate Openeye Name: 2-[[2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)acetyl]amino]acetic acid trihydrate CAS Name: 2-[[1-oxo-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethyl]amino]acetic acid trihydrate IUPAC Name: 2-[[2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)acetyl]amino]acetic acid trihydrate Traditional Name: 2-[[2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)acetyl]amino]acetic acid trihydrate Formula: C10H23N3O6 MolecularWeight: 281.30612

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NCC(=O)NCC(=O)O.O.O.O

Isomeric SMILES

C1CCC(=NCC1)NCC(=O)NCC(=O)O.O.O.O

InChI

InChI=1S/C10H17N3O3.3H2O/c14-9(13-7-10(15)16)6-12-8-4-2-1-3-5-11-8;;;/h1-7H2,(H,11,12)(H,13,14)(H,15,16);3*1H2