diethyl-[(4S)-4-[3-[2-methoxyethyl-(2-methylfuran-3-yl)carbonyl-amino]propanoylamino]pentyl]azanium

Systemtic Name: diethyl-[(4S)-4-[3-[2-methoxyethyl-(2-methylfuran-3-yl)carbonyl-amino]propanoylamino]pentyl]azanium Openeye Name: diethyl-[(4S)-4-[3-[2-methoxyethyl-(2-methylfuran-3-carbonyl)amino]propanoylamino]pentyl]ammonium CAS Name: diethyl-[(4S)-4-[[3-[2-methoxyethyl-[(2-methyl-3-furanyl)-oxomethyl]amino]-1-oxopropyl]amino]pentyl]ammonium IUPAC Name: diethyl-[(4S)-4-[3-[2-methoxyethyl-(2-methylfuran-3-carbonyl)amino]propanoylamino]pentyl]azanium Traditional Name: diethyl-[(4S)-4-[3-[2-methoxyethyl-(2-methyl-3-furoyl)amino]propanoylamino]pentyl]ammonium Formula: C21H38N3O4+ MolecularWeight: 396.54412

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)NC(=O)CCN(CCOC)C(=O)C1=C(OC=C1)C

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)NC(=O)CCN(CCOC)C(=O)C1=C(OC=C1)C

InChI

InChI=1S/C21H37N3O4/c1-6-23(7-2)12-8-9-17(3)22-20(25)10-13-24(14-16-27-5)21(26)19-11-15-28-18(19)4/h11,15,17H,6-10,12-14,16H2,1-5H3,(H,22,25)/p+1/t17-/m0/s1