tert-butyl 2-[[(3S)-2-oxidanylidene-1-(1-oxidanylidene-1-phenylmethoxy-propan-2-yl)azepan-3-yl]amino]-4-phenyl-butanoate

Systemtic Name: tert-butyl 2-[[(3S)-2-oxidanylidene-1-(1-oxidanylidene-1-phenylmethoxy-propan-2-yl)azepan-3-yl]amino]-4-phenyl-butanoate Openeye Name: tert-butyl 2-[[(3S)-1-(2-benzyloxy-1-methyl-2-oxo-ethyl)-2-oxo-azepan-3-yl]amino]-4-phenyl-butanoate CAS Name: 2-[[(3S)-2-oxo-1-(1-oxo-1-phenylmethoxypropan-2-yl)-3-azepanyl]amino]-4-phenylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[(3S)-2-oxo-1-(1-oxo-1-phenylmethoxypropan-2-yl)azepan-3-yl]amino]-4-phenylbutanoate Traditional Name: 2-[[(3S)-1-(2-benzoxy-2-keto-1-methyl-ethyl)-2-keto-azepan-3-yl]amino]-4-phenyl-butyric acid tert-butyl ester Formula: C30H40N2O5 MolecularWeight: 508.649

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)N2CCCCC(C2=O)NC(CCC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C(=O)OCC1=CC=CC=C1)N2CCCC[C@@H](C2=O)NC(CCC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H40N2O5/c1-22(28(34)36-21-24-15-9-6-10-16-24)32-20-12-11-17-25(27(32)33)31-26(29(35)37-30(2,3)4)19-18-23-13-7-5-8-14-23/h5-10,13-16,22,25-26,31H,11-12,17-21H2,1-4H3/t22?,25-,26?/m0/s1