(2S)-1-[(2R)-2-azanyl-3-cyclohexyl-propanoyl]-N-[4-(1H-imidazol-5-yl)butyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2R)-2-azanyl-3-cyclohexyl-propanoyl]-N-[4-(1H-imidazol-5-yl)butyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2R)-2-amino-3-cyclohexyl-propanoyl]-N-[4-(1H-imidazol-5-yl)butyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(2R)-2-amino-3-cyclohexyl-1-oxopropyl]-N-[4-(1H-imidazol-5-yl)butyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-N-[4-(1H-imidazol-5-yl)butyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(2R)-2-amino-3-cyclohexyl-propanoyl]-N-[4-(1H-imidazol-5-yl)butyl]pyrrolidine-2-carboxamide Formula: C21H35N5O2 MolecularWeight: 389.5349

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)N2CCCC2C(=O)NCCCCC3=CN=CN3)N

Isomeric SMILES

C1CCC(CC1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCCCCC3=CN=CN3)N

InChI

InChI=1S/C21H35N5O2/c22-18(13-16-7-2-1-3-8-16)21(28)26-12-6-10-19(26)20(27)24-11-5-4-9-17-14-23-15-25-17/h14-16,18-19H,1-13,22H2,(H,23,25)(H,24,27)/t18-,19+/m1/s1