(phenylmethyl) N-[1,6-bis(azanyl)-1-oxidanylidene-hexan-2-yl]carbamate trihydrate

Systemtic Name: (phenylmethyl) N-[1,6-bis(azanyl)-1-oxidanylidene-hexan-2-yl]carbamate trihydrate Openeye Name: benzyl N-(5-amino-1-carbamoyl-pentyl)carbamate trihydrate CAS Name: N-(1,6-diamino-1-oxohexan-2-yl)carbamic acid (phenylmethyl) ester trihydrate IUPAC Name: benzyl N-(1,6-diamino-1-oxohexan-2-yl)carbamate trihydrate Traditional Name: N-(5-amino-1-carbamoyl-pentyl)carbamic acid benzyl ester trihydrate Formula: C14H27N3O6 MolecularWeight: 333.38068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCCCN)C(=O)N.O.O.O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CCCCN)C(=O)N.O.O.O

InChI

InChI=1S/C14H21N3O3.3H2O/c15-9-5-4-8-12(13(16)18)17-14(19)20-10-11-6-2-1-3-7-11;;;/h1-3,6-7,12H,4-5,8-10,15H2,(H2,16,18)(H,17,19);3*1H2