6-azanyl-N-[1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-6-(phenylcarbamoylamino)hexan-2-yl]hexanamide

Systemtic Name: 6-azanyl-N-[1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-6-(phenylcarbamoylamino)hexan-2-yl]hexanamide Openeye Name: 6-amino-N-[1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-(phenylcarbamoylamino)pentyl]hexanamide CAS Name: 6-amino-N-[6-[[anilino(oxo)methyl]amino]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxohexan-2-yl]hexanamide IUPAC Name: 6-amino-N-[1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-6-(phenylcarbamoylamino)hexan-2-yl]hexanamide Traditional Name: 6-amino-N-[1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-(phenylcarbamoylamino)pentyl]hexanamide Formula: C30H43N5O5 MolecularWeight: 553.69292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C(CCCCNC(=O)NC3=CC=CC=C3)NC(=O)CCCCCN)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C(CCCCNC(=O)NC3=CC=CC=C3)NC(=O)CCCCCN)OC

InChI

InChI=1S/C30H43N5O5/c1-39-26-19-22-15-18-35(21-23(22)20-27(26)40-2)29(37)25(34-28(36)14-7-4-9-16-31)13-8-10-17-32-30(38)33-24-11-5-3-6-12-24/h3,5-6,11-12,19-20,25H,4,7-10,13-18,21,31H2,1-2H3,(H,34,36)(H2,32,33,38)