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

Systemtic Name: (2S)-2-[[2-(azepan-1-yl)-2-oxidanylidene-ethyl]carbamoylamino]propanoate Openeye Name: (2S)-2-[[2-(azepan-1-yl)-2-oxo-ethyl]carbamoylamino]propanoate CAS Name: (2S)-2-[[[[2-(1-azepanyl)-2-oxoethyl]amino]-oxomethyl]amino]propanoate IUPAC Name: (2S)-2-[[2-(azepan-1-yl)-2-oxoethyl]carbamoylamino]propanoate Traditional Name: (2S)-2-[[2-(azepan-1-yl)-2-keto-ethyl]carbamoylamino]propionate Formula: C12H20N3O4- MolecularWeight: 270.3049

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21N3O4/c1-9(11(17)18)14-12(19)13-8-10(16)15-6-4-2-3-5-7-15/h9H,2-8H2,1H3,(H,17,18)(H2,13,14,19)/p-1/t9-/m0/s1