3-phenyl-3-[[3-(1,2,3,4-tetrahydroisoquinolin-7-ylcarbamoyl)phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-phenyl-3-[[3-(1,2,3,4-tetrahydroisoquinolin-7-ylcarbamoyl)phenyl]carbonylamino]propanoic acid Openeye Name: 3-phenyl-3-[[3-(1,2,3,4-tetrahydroisoquinolin-7-ylcarbamoyl)benzoyl]amino]propanoic acid CAS Name: 3-[[oxo-[3-[oxo-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)methyl]phenyl]methyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-3-[[3-(1,2,3,4-tetrahydroisoquinolin-7-ylcarbamoyl)benzoyl]amino]propanoic acid Traditional Name: 3-phenyl-3-[[3-(1,2,3,4-tetrahydroisoquinolin-7-ylcarbamoyl)benzoyl]amino]propionic acid Formula: C26H25N3O4 MolecularWeight: 443.4944

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC2=C1C=CC(=C2)NC(=O)C3=CC(=CC=C3)C(=O)NC(CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1CNCC2=C1C=CC(=C2)NC(=O)C3=CC(=CC=C3)C(=O)NC(CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C26H25N3O4/c30-24(31)15-23(18-5-2-1-3-6-18)29-26(33)20-8-4-7-19(13-20)25(32)28-22-10-9-17-11-12-27-16-21(17)14-22/h1-10,13-14,23,27H,11-12,15-16H2,(H,28,32)(H,29,33)(H,30,31)