diethyl-[(4S)-4-[3-[2-methylpropyl(pyrazin-2-ylcarbonyl)amino]propanoylamino]pentyl]azanium

Systemtic Name: diethyl-[(4S)-4-[3-[2-methylpropyl(pyrazin-2-ylcarbonyl)amino]propanoylamino]pentyl]azanium Openeye Name: diethyl-[(4S)-4-[3-[isobutyl(pyrazine-2-carbonyl)amino]propanoylamino]pentyl]ammonium CAS Name: diethyl-[(4S)-4-[[3-[2-methylpropyl-[oxo(2-pyrazinyl)methyl]amino]-1-oxopropyl]amino]pentyl]ammonium IUPAC Name: diethyl-[(4S)-4-[3-[2-methylpropyl(pyrazine-2-carbonyl)amino]propanoylamino]pentyl]azanium Traditional Name: diethyl-[(4S)-4-[3-[isobutyl(pyrazinoyl)amino]propanoylamino]pentyl]ammonium Formula: C21H38N5O2+ MolecularWeight: 392.55872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H37N5O2/c1-6-25(7-2)13-8-9-18(5)24-20(27)10-14-26(16-17(3)4)21(28)19-15-22-11-12-23-19/h11-12,15,17-18H,6-10,13-14,16H2,1-5H3,(H,24,27)/p+1/t18-/m0/s1