(9Z)-7-(isoquinolin-1-ylcarbonylamino)-6-oxidanylidene-2-phenylmethoxycarbonyl-3,4,7,8,11,11a-hexahydro-1H-pyrazino[1,2-a]azocine-4-carboxylic acid

Systemtic Name: (9Z)-7-(isoquinolin-1-ylcarbonylamino)-6-oxidanylidene-2-phenylmethoxycarbonyl-3,4,7,8,11,11a-hexahydro-1H-pyrazino[1,2-a]azocine-4-carboxylic acid Openeye Name: (9Z)-2-benzyloxycarbonyl-7-(isoquinoline-1-carbonylamino)-6-oxo-3,4,7,8,11,11a-hexahydro-1H-pyrazino[1,2-a]azocine-4-carboxylic acid CAS Name: (9Z)-7-[[1-isoquinolinyl(oxo)methyl]amino]-6-oxo-2-phenylmethoxycarbonyl-3,4,7,8,11,11a-hexahydro-1H-pyrazino[1,2-a]azocine-4-carboxylic acid IUPAC Name: (9Z)-7-(isoquinoline-1-carbonylamino)-6-oxo-2-phenylmethoxycarbonyl-3,4,7,8,11,11a-hexahydro-1H-pyrazino[1,2-a]azocine-4-carboxylic acid Traditional Name: (9Z)-2-carbobenzoxy-7-(isoquinoline-1-carbonylamino)-6-keto-3,4,7,8,11,11a-hexahydro-1H-pyrazin[1,2-a]azocine-4-carboxylic acid Formula: C29H28N4O6 MolecularWeight: 528.55582

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C(=O)N2C1CN(CC2C(=O)O)C(=O)OCC3=CC=CC=C3)NC(=O)C4=NC=CC5=CC=CC=C54

Isomeric SMILES

C1/C=C\CC(C(=O)N2C1CN(CC2C(=O)O)C(=O)OCC3=CC=CC=C3)NC(=O)C4=NC=CC5=CC=CC=C54

InChI

InChI=1S/C29H28N4O6/c34-26(25-22-12-6-4-10-20(22)14-15-30-25)31-23-13-7-5-11-21-16-32(17-24(28(36)37)33(21)27(23)35)29(38)39-18-19-8-2-1-3-9-19/h1-10,12,14-15,21,23-24H,11,13,16-18H2,(H,31,34)(H,36,37)/b7-5-