(9Z)-7-(naphthalen-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-(naphthalen-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-(naphthalene-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-naphthalenyl(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-(naphthalene-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-6-keto-7-(1-naphthoylamino)-3,4,7,8,11,11a-hexahydro-1H-pyrazin[1,2-a]azocine-4-carboxylic acid Formula: C30H29N3O6 MolecularWeight: 527.56776

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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=CC=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=CC=CC5=CC=CC=C54

InChI

InChI=1S/C30H29N3O6/c34-27(24-15-8-12-21-11-4-6-14-23(21)24)31-25-16-7-5-13-22-17-32(18-26(29(36)37)33(22)28(25)35)30(38)39-19-20-9-2-1-3-10-20/h1-12,14-15,22,25-26H,13,16-19H2,(H,31,34)(H,36,37)/b7-5-