[(2R)-1-[(2S)-2-[(1-azanylisoquinolin-6-yl)methylcarbamoyl]pyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl]carbamic acid

Systemtic Name: [(2R)-1-[(2S)-2-[(1-azanylisoquinolin-6-yl)methylcarbamoyl]pyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl]carbamic acid Openeye Name: [(1R)-2-[(2S)-2-[(1-amino-6-isoquinolyl)methylcarbamoyl]pyrrolidin-1-yl]-1-[(4-fluorophenyl)methyl]-2-oxo-ethyl]carbamic acid CAS Name: [(2R)-1-[(2S)-2-[[(1-amino-6-isoquinolinyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]carbamic acid IUPAC Name: [(2R)-1-[(2S)-2-[(1-aminoisoquinolin-6-yl)methylcarbamoyl]pyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]carbamic acid Traditional Name: [(1R)-2-[(2S)-2-[(1-amino-6-isoquinolyl)methylcarbamoyl]pyrrolidino]-1-(4-fluorobenzyl)-2-keto-ethyl]carbamic acid Formula: C25H26FN5O4 MolecularWeight: 479.503443

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=C(C=C2)F)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](CC2=CC=C(C=C2)F)NC(=O)O)C(=O)NCC3=CC4=C(C=C3)C(=NC=C4)N

InChI

InChI=1S/C25H26FN5O4/c26-18-6-3-15(4-7-18)13-20(30-25(34)35)24(33)31-11-1-2-21(31)23(32)29-14-16-5-8-19-17(12-16)9-10-28-22(19)27/h3-10,12,20-21,30H,1-2,11,13-14H2,(H2,27,28)(H,29,32)(H,34,35)/t20-,21+/m1/s1