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

Systemtic Name: (phenylmethyl) 2-[[(3S)-1-(2-azanyl-2-oxidanylidene-ethyl)-2-oxidanylidene-azepan-3-yl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[[(3S)-1-(2-amino-2-oxo-ethyl)-2-oxo-azepan-3-yl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[[(3S)-1-(2-amino-2-oxoethyl)-2-oxo-3-azepanyl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[(3S)-1-(2-amino-2-oxoethyl)-2-oxoazepan-3-yl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[(3S)-1-(2-amino-2-keto-ethyl)-2-keto-azepan-3-yl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3)CC(=O)N

Isomeric SMILES

C1CCN(C(=O)[C@H](C1)NC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3)CC(=O)N

InChI

InChI=1S/C21H28N4O5/c22-18(26)13-24-11-5-4-9-16(20(24)28)23-19(27)17-10-6-12-25(17)21(29)30-14-15-7-2-1-3-8-15/h1-3,7-8,16-17H,4-6,9-14H2,(H2,22,26)(H,23,27)/t16-,17?/m0/s1