2-[3-(4-oxidanylbutyl)-7-oxidanylidene-6-(phenylmethoxycarbonylamino)-1,2-diazepan-1-yl]ethanoic acid

Systemtic Name: 2-[3-(4-oxidanylbutyl)-7-oxidanylidene-6-(phenylmethoxycarbonylamino)-1,2-diazepan-1-yl]ethanoic acid Openeye Name: 2-[6-(benzyloxycarbonylamino)-3-(4-hydroxybutyl)-7-oxo-diazepan-1-yl]acetic acid CAS Name: 2-[3-(4-hydroxybutyl)-7-oxo-6-(phenylmethoxycarbonylamino)-1-diazepanyl]acetic acid IUPAC Name: 2-[3-(4-hydroxybutyl)-7-oxo-6-(phenylmethoxycarbonylamino)diazepan-1-yl]acetic acid Traditional Name: 2-[6-(benzyloxycarbonylamino)-3-(4-hydroxybutyl)-7-keto-diazepan-1-yl]acetic acid Formula: C19H27N3O6 MolecularWeight: 393.43418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(NC1CCCCO)CC(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CC(C(=O)N(NC1CCCCO)CC(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H27N3O6/c23-11-5-4-8-15-9-10-16(18(26)22(21-15)12-17(24)25)20-19(27)28-13-14-6-2-1-3-7-14/h1-3,6-7,15-16,21,23H,4-5,8-13H2,(H,20,27)(H,24,25)