ethyl (E)-8-azanyl-4-[[2-(morpholin-4-ylcarbonylamino)-3-phenyl-propanoyl]amino]oct-2-enoate hydrobromide

Systemtic Name: ethyl (E)-8-azanyl-4-[[2-(morpholin-4-ylcarbonylamino)-3-phenyl-propanoyl]amino]oct-2-enoate hydrobromide Openeye Name: ethyl (E)-8-amino-4-[[2-(morpholine-4-carbonylamino)-3-phenyl-propanoyl]amino]oct-2-enoate hydrobromide CAS Name: (E)-8-amino-4-[[2-[[4-morpholinyl(oxo)methyl]amino]-1-oxo-3-phenylpropyl]amino]-2-octenoic acid ethyl ester hydrobromide IUPAC Name: ethyl (E)-8-amino-4-[[2-(morpholine-4-carbonylamino)-3-phenylpropanoyl]amino]oct-2-enoate hydrobromide Traditional Name: (E)-8-amino-4-[[2-(morpholine-4-carbonylamino)-3-phenyl-propanoyl]amino]oct-2-enoic acid ethyl ester hydrobromide Formula: C24H37BrN4O5 MolecularWeight: 541.47838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(CCCCN)NC(=O)C(CC1=CC=CC=C1)NC(=O)N2CCOCC2.Br

Isomeric SMILES

CCOC(=O)/C=C/C(CCCCN)NC(=O)C(CC1=CC=CC=C1)NC(=O)N2CCOCC2.Br

InChI

InChI=1S/C24H36N4O5.BrH/c1-2-33-22(29)12-11-20(10-6-7-13-25)26-23(30)21(18-19-8-4-3-5-9-19)27-24(31)28-14-16-32-17-15-28;/h3-5,8-9,11-12,20-21H,2,6-7,10,13-18,25H2,1H3,(H,26,30)(H,27,31);1H/b12-11+;