3-[1-azanyl-7-[2-[(4-pyrrolidin-1-ylcarbonylphenyl)carbonylamino]ethoxy]isoquinolin-6-yl]-2-oxidanylidene-propanoic acid

Systemtic Name: 3-[1-azanyl-7-[2-[(4-pyrrolidin-1-ylcarbonylphenyl)carbonylamino]ethoxy]isoquinolin-6-yl]-2-oxidanylidene-propanoic acid Openeye Name: 3-[1-amino-7-[2-[[4-(pyrrolidine-1-carbonyl)benzoyl]amino]ethoxy]-6-isoquinolyl]-2-oxo-propanoic acid CAS Name: 3-[1-amino-7-[2-[[oxo-[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl]amino]ethoxy]-6-isoquinolinyl]-2-oxopropanoic acid IUPAC Name: 3-[1-amino-7-[2-[[4-(pyrrolidine-1-carbonyl)benzoyl]amino]ethoxy]isoquinolin-6-yl]-2-oxopropanoic acid Traditional Name: 3-[1-amino-7-[2-[[4-(pyrrolidine-1-carbonyl)benzoyl]amino]ethoxy]-6-isoquinolyl]-2-keto-propionic acid Formula: C26H26N4O6 MolecularWeight: 490.50784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)C(=O)NCCOC3=C(C=C4C=CN=C(C4=C3)N)CC(=O)C(=O)O

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)C(=O)NCCOC3=C(C=C4C=CN=C(C4=C3)N)CC(=O)C(=O)O

InChI

InChI=1S/C26H26N4O6/c27-23-20-15-22(19(14-21(31)26(34)35)13-18(20)7-8-28-23)36-12-9-29-24(32)16-3-5-17(6-4-16)25(33)30-10-1-2-11-30/h3-8,13,15H,1-2,9-12,14H2,(H2,27,28)(H,29,32)(H,34,35)