(2S)-1-[(1-azanylisoquinolin-6-yl)methyl]-N-[(2R)-3-cyclohexyl-2-(cyclohexylamino)propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(1-azanylisoquinolin-6-yl)methyl]-N-[(2R)-3-cyclohexyl-2-(cyclohexylamino)propanoyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(1-amino-6-isoquinolyl)methyl]-N-[(2R)-3-cyclohexyl-2-(cyclohexylamino)propanoyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(1-amino-6-isoquinolinyl)methyl]-N-[(2R)-3-cyclohexyl-2-(cyclohexylamino)-1-oxopropyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(1-aminoisoquinolin-6-yl)methyl]-N-[(2R)-3-cyclohexyl-2-(cyclohexylamino)propanoyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(1-amino-6-isoquinolyl)methyl]-N-[(2R)-3-cyclohexyl-2-(cyclohexylamino)propanoyl]pyrrolidine-2-carboxamide Formula: C30H43N5O2 MolecularWeight: 505.69472

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NC(=O)C2CCCN2CC3=CC4=C(C=C3)C(=NC=C4)N)NC5CCCCC5

Isomeric SMILES

C1CCC(CC1)C[C@H](C(=O)NC(=O)[C@@H]2CCCN2CC3=CC4=C(C=C3)C(=NC=C4)N)NC5CCCCC5

InChI

InChI=1S/C30H43N5O2/c31-28-25-14-13-22(18-23(25)15-16-32-28)20-35-17-7-12-27(35)30(37)34-29(36)26(19-21-8-3-1-4-9-21)33-24-10-5-2-6-11-24/h13-16,18,21,24,26-27,33H,1-12,17,19-20H2,(H2,31,32)(H,34,36,37)/t26-,27+/m1/s1