[2-(azepan-1-yl)-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] (2S)-2-(furan-2-carbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-3-phenylpropanoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(2-furoylamino)-3-phenyl-propionic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C22H26N2O5/c25-20(24-12-6-1-2-7-13-24)16-29-22(27)18(15-17-9-4-3-5-10-17)23-21(26)19-11-8-14-28-19/h3-5,8-11,14,18H,1-2,6-7,12-13,15-16H2,(H,23,26)/t18-/m0/s1