[(1S)-2-[(2S)-2-[(1-azanylisoquinolin-6-yl)methylcarbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-1-phenyl-ethyl]carbamic acid

Systemtic Name: [(1S)-2-[(2S)-2-[(1-azanylisoquinolin-6-yl)methylcarbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-1-phenyl-ethyl]carbamic acid Openeye Name: [(1S)-2-[(2S)-2-[(1-amino-6-isoquinolyl)methylcarbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenyl-ethyl]carbamic acid CAS Name: [(1S)-2-[(2S)-2-[[(1-amino-6-isoquinolinyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-2-oxo-1-phenylethyl]carbamic acid IUPAC Name: [(1S)-2-[(2S)-2-[(1-aminoisoquinolin-6-yl)methylcarbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamic acid Traditional Name: [(1S)-2-[(2S)-2-[(1-amino-6-isoquinolyl)methylcarbamoyl]pyrrolidino]-2-keto-1-phenyl-ethyl]carbamic acid Formula: C24H25N5O4 MolecularWeight: 447.4864

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(C2=CC=CC=C2)NC(=O)O)C(=O)NCC3=CC4=C(C=C3)C(=NC=C4)N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](C2=CC=CC=C2)NC(=O)O)C(=O)NCC3=CC4=C(C=C3)C(=NC=C4)N

InChI

InChI=1S/C24H25N5O4/c25-21-18-9-8-15(13-17(18)10-11-26-21)14-27-22(30)19-7-4-12-29(19)23(31)20(28-24(32)33)16-5-2-1-3-6-16/h1-3,5-6,8-11,13,19-20,28H,4,7,12,14H2,(H2,25,26)(H,27,30)(H,32,33)/t19-,20-/m0/s1