5-(isoquinolin-3-ylcarbonylamino)-6-(4-naphthalen-2-ylbutanoylamino)oxy-6-oxidanylidene-hexanoic acid

Systemtic Name: 5-(isoquinolin-3-ylcarbonylamino)-6-(4-naphthalen-2-ylbutanoylamino)oxy-6-oxidanylidene-hexanoic acid Openeye Name: 5-(isoquinoline-3-carbonylamino)-6-[4-(2-naphthyl)butanoylamino]oxy-6-oxo-hexanoic acid CAS Name: 5-[[3-isoquinolinyl(oxo)methyl]amino]-6-[[4-(2-naphthalenyl)-1-oxobutyl]amino]oxy-6-oxohexanoic acid IUPAC Name: 5-(isoquinoline-3-carbonylamino)-6-(4-naphthalen-2-ylbutanoylamino)oxy-6-oxohexanoic acid Traditional Name: 5-(isoquinoline-3-carbonylamino)-6-keto-6-[4-(2-naphthyl)butanoylamino]oxy-hexanoic acid Formula: C30H29N3O6 MolecularWeight: 527.56776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CCCC(=O)NOC(=O)C(CCCC(=O)O)NC(=O)C3=CC4=CC=CC=C4C=N3

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CCCC(=O)NOC(=O)C(CCCC(=O)O)NC(=O)C3=CC4=CC=CC=C4C=N3

InChI

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