(phenylmethyl) (2S)-2-[[(3R)-1-(2-methoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-azepan-3-yl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[[(3R)-1-(2-methoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-azepan-3-yl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[[(3R)-1-(2-methoxy-2-oxo-ethyl)-2-oxo-azepan-3-yl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[[(3R)-1-(2-methoxy-2-oxoethyl)-2-oxo-3-azepanyl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(3R)-1-(2-methoxy-2-oxoethyl)-2-oxoazepan-3-yl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[(3R)-2-keto-1-(2-keto-2-methoxy-ethyl)azepan-3-yl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C22H29N3O6 MolecularWeight: 431.48216

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1CCCCC(C1=O)NC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)CN1CCCC[C@H](C1=O)NC(=O)[C@@H]2CCCN2C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O6/c1-30-19(26)14-24-12-6-5-10-17(21(24)28)23-20(27)18-11-7-13-25(18)22(29)31-15-16-8-3-2-4-9-16/h2-4,8-9,17-18H,5-7,10-15H2,1H3,(H,23,27)/t17-,18+/m1/s1