(3S)-3-[2-(7-morpholin-4-yl-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl)ethanoylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: (3S)-3-[2-(7-morpholin-4-yl-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl)ethanoylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: (3S)-3-[[2-(7-morpholino-1-oxo-3,4-dihydroisoquinolin-2-yl)acetyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: (3S)-3-[[2-[7-(4-morpholinyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]-1-oxoethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: (3S)-3-[[2-(7-morpholin-4-yl-1-oxo-3,4-dihydroisoquinolin-2-yl)acetyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: (3S)-3-[[2-(1-keto-7-morpholino-3,4-dihydroisoquinolin-2-yl)acetyl]amino]-3-(3-pyridyl)propionic acid Formula: C23H26N4O5 MolecularWeight: 438.47634

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=C1C=CC(=C2)N3CCOCC3)CC(=O)NC(CC(=O)O)C4=CN=CC=C4

Isomeric SMILES

C1CN(C(=O)C2=C1C=CC(=C2)N3CCOCC3)CC(=O)N[C@@H](CC(=O)O)C4=CN=CC=C4

InChI

InChI=1S/C23H26N4O5/c28-21(25-20(13-22(29)30)17-2-1-6-24-14-17)15-27-7-5-16-3-4-18(12-19(16)23(27)31)26-8-10-32-11-9-26/h1-4,6,12,14,20H,5,7-11,13,15H2,(H,25,28)(H,29,30)/t20-/m0/s1