[(2R,6S)-7-oxidanylidene-6-[phenylmethoxycarbonyl-(phenylmethyl)amino]-1,2,5,6-tetrahydroazepin-2-yl]methyl ethanoate

Systemtic Name: [(2R,6S)-7-oxidanylidene-6-[phenylmethoxycarbonyl-(phenylmethyl)amino]-1,2,5,6-tetrahydroazepin-2-yl]methyl ethanoate Openeye Name: [(2R,6S)-6-[benzyl(benzyloxycarbonyl)amino]-7-oxo-1,2,5,6-tetrahydroazepin-2-yl]methyl acetate CAS Name: acetic acid [(2R,6S)-7-oxo-6-[phenylmethoxycarbonyl-(phenylmethyl)amino]-1,2,5,6-tetrahydroazepin-2-yl]methyl ester IUPAC Name: [(2R,6S)-6-[benzyl(phenylmethoxycarbonyl)amino]-7-oxo-1,2,5,6-tetrahydroazepin-2-yl]methyl acetate Traditional Name: acetic acid [(2R,6S)-6-[benzyl(carbobenzoxy)amino]-7-keto-1,2,5,6-tetrahydroazepin-2-yl]methyl ester Formula: C24H26N2O5 MolecularWeight: 422.47364

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C=CCC(C(=O)N1)N(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)OC[C@H]1C=CC[C@@H](C(=O)N1)N(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H26N2O5/c1-18(27)30-17-21-13-8-14-22(23(28)25-21)26(15-19-9-4-2-5-10-19)24(29)31-16-20-11-6-3-7-12-20/h2-13,21-22H,14-17H2,1H3,(H,25,28)/t21-,22+/m1/s1