(E)-4-oxidanylidene-4-[[(3R)-2-oxidanylideneazepan-3-yl]amino]but-2-enoate

Systemtic Name: (E)-4-oxidanylidene-4-[[(3R)-2-oxidanylideneazepan-3-yl]amino]but-2-enoate Openeye Name: (E)-4-oxo-4-[[(3R)-2-oxoazepan-3-yl]amino]but-2-enoate CAS Name: (E)-4-oxo-4-[[(3R)-2-oxo-3-azepanyl]amino]-2-butenoate IUPAC Name: (E)-4-oxo-4-[[(3R)-2-oxoazepan-3-yl]amino]but-2-enoate Traditional Name: (E)-4-keto-4-[[(3R)-2-ketoazepan-3-yl]amino]but-2-enoate Formula: C10H13N2O4- MolecularWeight: 225.22122

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C=CC(=O)[O-]

Isomeric SMILES

C1CCNC(=O)[C@@H](C1)NC(=O)/C=C/C(=O)[O-]

InChI

InChI=1S/C10H14N2O4/c13-8(4-5-9(14)15)12-7-3-1-2-6-11-10(7)16/h4-5,7H,1-3,6H2,(H,11,16)(H,12,13)(H,14,15)/p-1/b5-4+/t7-/m1/s1