(2R)-1-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-ylcarbonyl)-N-[7-[bis(azanyl)methylideneamino]-1,1,1,2,2-pentakis(fluoranyl)-3-oxidanylidene-heptan-4-yl]pyrrolidine-2-carboxamide

Systemtic Name: (2R)-1-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-ylcarbonyl)-N-[7-[bis(azanyl)methylideneamino]-1,1,1,2,2-pentakis(fluoranyl)-3-oxidanylidene-heptan-4-yl]pyrrolidine-2-carboxamide Openeye Name: (2R)-1-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-1-carbonyl)-N-[3,3,4,4,4-pentafluoro-1-(3-guanidinopropyl)-2-oxo-butyl]pyrrolidine-2-carboxamide CAS Name: (2R)-1-[1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl(oxo)methyl]-N-[7-(diaminomethylideneamino)-1,1,1,2,2-pentafluoro-3-oxoheptan-4-yl]-2-pyrrolidinecarboxamide IUPAC Name: (2R)-1-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-1-carbonyl)-N-[7-(diaminomethylideneamino)-1,1,1,2,2-pentafluoro-3-oxoheptan-4-yl]pyrrolidine-2-carboxamide Traditional Name: (2R)-1-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-1-carbonyl)-N-[3,3,4,4,4-pentafluoro-1-(3-guanidinopropyl)-2-keto-butyl]pyrrolidine-2-carboxamide Formula: C23H35F5N6O3 MolecularWeight: 538.554416

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)CCNC2C(=O)N3CCCC3C(=O)NC(CCCN=C(N)N)C(=O)C(C(F)(F)F)(F)F

Isomeric SMILES

C1CCC2C(C1)CCNC2C(=O)N3CCC[C@@H]3C(=O)NC(CCCN=C(N)N)C(=O)C(C(F)(F)F)(F)F

InChI

InChI=1S/C23H35F5N6O3/c24-22(25,23(26,27)28)18(35)15(7-3-10-32-21(29)30)33-19(36)16-8-4-12-34(16)20(37)17-14-6-2-1-5-13(14)9-11-31-17/h13-17,31H,1-12H2,(H,33,36)(H4,29,30,32)/t13?,14?,15?,16-,17?/m1/s1