(2S)-2-[[2-(azepan-1-yl)-2-oxidanylidene-ethyl]carbamoylamino]-2-methyl-butanoate

Systemtic Name: (2S)-2-[[2-(azepan-1-yl)-2-oxidanylidene-ethyl]carbamoylamino]-2-methyl-butanoate Openeye Name: (2S)-2-[[2-(azepan-1-yl)-2-oxo-ethyl]carbamoylamino]-2-methyl-butanoate CAS Name: (2S)-2-[[[[2-(1-azepanyl)-2-oxoethyl]amino]-oxomethyl]amino]-2-methylbutanoate IUPAC Name: (2S)-2-[[2-(azepan-1-yl)-2-oxoethyl]carbamoylamino]-2-methylbutanoate Traditional Name: (2S)-2-[[2-(azepan-1-yl)-2-keto-ethyl]carbamoylamino]-2-methyl-butyrate Formula: C14H24N3O4- MolecularWeight: 298.35806

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)[O-])NC(=O)NCC(=O)N1CCCCCC1

Isomeric SMILES

CC[C@@](C)(C(=O)[O-])NC(=O)NCC(=O)N1CCCCCC1

InChI

InChI=1S/C14H25N3O4/c1-3-14(2,12(19)20)16-13(21)15-10-11(18)17-8-6-4-5-7-9-17/h3-10H2,1-2H3,(H,19,20)(H2,15,16,21)/p-1/t14-/m0/s1