(2S)-N-[(2S)-4-chloranyl-3-oxidanylidene-1-phenyl-butan-2-yl]-2-(isoquinolin-3-ylcarbonylamino)butanediamide

Systemtic Name: (2S)-N-[(2S)-4-chloranyl-3-oxidanylidene-1-phenyl-butan-2-yl]-2-(isoquinolin-3-ylcarbonylamino)butanediamide Openeye Name: (2S)-N-[(1S)-1-benzyl-3-chloro-2-oxo-propyl]-2-(isoquinoline-3-carbonylamino)butanediamide CAS Name: (2S)-N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]-2-[[3-isoquinolinyl(oxo)methyl]amino]butanediamide IUPAC Name: (2S)-N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]-2-(isoquinoline-3-carbonylamino)butanediamide Traditional Name: (2S)-N-[(1S)-1-benzyl-3-chloro-2-keto-propyl]-2-(isoquinoline-3-carbonylamino)succinamide Formula: C24H23ClN4O4 MolecularWeight: 466.91682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)CCl)NC(=O)C(CC(=O)N)NC(=O)C2=CC3=CC=CC=C3C=N2

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)CCl)NC(=O)[C@H](CC(=O)N)NC(=O)C2=CC3=CC=CC=C3C=N2

InChI

InChI=1S/C24H23ClN4O4/c25-13-21(30)18(10-15-6-2-1-3-7-15)28-24(33)20(12-22(26)31)29-23(32)19-11-16-8-4-5-9-17(16)14-27-19/h1-9,11,14,18,20H,10,12-13H2,(H2,26,31)(H,28,33)(H,29,32)/t18-,20-/m0/s1