(2S)-1-[(2R)-2-azanyl-3,3-dicyclohexyl-propanoyl]-N-[(6-azanylpyridin-3-yl)methyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2R)-2-azanyl-3,3-dicyclohexyl-propanoyl]-N-[(6-azanylpyridin-3-yl)methyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2R)-2-amino-3,3-dicyclohexyl-propanoyl]-N-[(6-amino-3-pyridyl)methyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(2R)-2-amino-3,3-dicyclohexyl-1-oxopropyl]-N-[(6-amino-3-pyridinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2R)-2-amino-3,3-dicyclohexylpropanoyl]-N-[(6-aminopyridin-3-yl)methyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(2R)-2-amino-3,3-dicyclohexyl-propanoyl]-N-[(6-amino-3-pyridyl)methyl]pyrrolidine-2-carboxamide Formula: C26H41N5O2 MolecularWeight: 455.63604

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2CCCCC2)C(C(=O)N3CCCC3C(=O)NCC4=CN=C(C=C4)N)N

Isomeric SMILES

C1CCC(CC1)C(C2CCCCC2)[C@H](C(=O)N3CCC[C@H]3C(=O)NCC4=CN=C(C=C4)N)N

InChI

InChI=1S/C26H41N5O2/c27-22-14-13-18(16-29-22)17-30-25(32)21-12-7-15-31(21)26(33)24(28)23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h13-14,16,19-21,23-24H,1-12,15,17,28H2,(H2,27,29)(H,30,32)/t21-,24+/m0/s1