[(4S)-4-[[(2R)-2-azaniumyl-4-methylsulfonyl-butanoyl]amino]pentyl]-diethyl-azanium

Systemtic Name: [(4S)-4-[[(2R)-2-azaniumyl-4-methylsulfonyl-butanoyl]amino]pentyl]-diethyl-azanium Openeye Name: [(4S)-4-[[(2R)-2-azaniumyl-4-methylsulfonyl-butanoyl]amino]pentyl]-diethyl-ammonium CAS Name: [(4S)-4-[[(2R)-2-ammonio-4-methylsulfonyl-1-oxobutyl]amino]pentyl]-diethylammonium IUPAC Name: [(4S)-4-[[(2R)-2-azaniumyl-4-methylsulfonylbutanoyl]amino]pentyl]-diethylazanium Traditional Name: [(4S)-4-[[(2R)-2-ammonio-4-mesyl-butanoyl]amino]pentyl]-diethyl-ammonium Formula: C14H33N3O3S+2 MolecularWeight: 323.49512

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)NC(=O)C(CCS(=O)(=O)C)[NH3+]

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H](CCS(=O)(=O)C)[NH3+]

InChI

InChI=1S/C14H31N3O3S/c1-5-17(6-2)10-7-8-12(3)16-14(18)13(15)9-11-21(4,19)20/h12-13H,5-11,15H2,1-4H3,(H,16,18)/p+2/t12-,13+/m0/s1