4-[[(2S)-5-(diethylazaniumyl)pentan-2-yl]carbamoylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[(2S)-5-(diethylazaniumyl)pentan-2-yl]carbamoylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[(1S)-4-(diethylammonio)-1-methyl-butyl]carbamoylamino]-4-oxo-butanoate CAS Name: 4-[[[[(2S)-5-(diethylammonio)pentan-2-yl]amino]-oxomethyl]amino]-4-oxobutanoate IUPAC Name: 4-[[(2S)-5-(diethylazaniumyl)pentan-2-yl]carbamoylamino]-4-oxobutanoate Traditional Name: 4-[[(1S)-4-(diethylammonio)-1-methyl-butyl]carbamoylamino]-4-keto-butyrate Formula: C14H27N3O4 MolecularWeight: 301.38188

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)NC(=O)NC(=O)CCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H27N3O4/c1-4-17(5-2)10-6-7-11(3)15-14(21)16-12(18)8-9-13(19)20/h11H,4-10H2,1-3H3,(H,19,20)(H2,15,16,18,21)/t11-/m0/s1