diethyl-[(4S)-4-[3-[furan-3-ylcarbonyl(furan-2-ylmethyl)amino]propanoylamino]pentyl]azanium

Systemtic Name: diethyl-[(4S)-4-[3-[furan-3-ylcarbonyl(furan-2-ylmethyl)amino]propanoylamino]pentyl]azanium Openeye Name: diethyl-[(4S)-4-[3-[furan-3-carbonyl(2-furylmethyl)amino]propanoylamino]pentyl]ammonium CAS Name: diethyl-[(4S)-4-[[3-[2-furanylmethyl-[3-furanyl(oxo)methyl]amino]-1-oxopropyl]amino]pentyl]ammonium IUPAC Name: diethyl-[(4S)-4-[3-[furan-3-carbonyl(furan-2-ylmethyl)amino]propanoylamino]pentyl]azanium Traditional Name: diethyl-[(4S)-4-[3-[2-furfuryl(3-furoyl)amino]propanoylamino]pentyl]ammonium Formula: C22H34N3O4+ MolecularWeight: 404.52306

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)NC(=O)CCN(CC1=CC=CO1)C(=O)C2=COC=C2

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)NC(=O)CCN(CC1=CC=CO1)C(=O)C2=COC=C2

InChI

InChI=1S/C22H33N3O4/c1-4-24(5-2)12-6-8-18(3)23-21(26)10-13-25(16-20-9-7-14-29-20)22(27)19-11-15-28-17-19/h7,9,11,14-15,17-18H,4-6,8,10,12-13,16H2,1-3H3,(H,23,26)/p+1/t18-/m0/s1