tert-butyl 2-[[1-(2-ethoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-6-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: tert-butyl 2-[[1-(2-ethoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-6-(phenylmethoxycarbonylamino)hexanoate Openeye Name: tert-butyl 6-(benzyloxycarbonylamino)-2-[[1-(2-ethoxy-2-oxo-ethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]hexanoate CAS Name: 2-[[1-(2-ethoxy-2-oxoethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[1-(2-ethoxy-2-oxoethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-6-(phenylmethoxycarbonylamino)hexanoate Traditional Name: 6-(benzyloxycarbonylamino)-2-[[1-(2-ethoxy-2-keto-ethyl)-2-keto-4,5-dihydro-3H-1-benzazepin-3-yl]amino]hexanoic acid tert-butyl ester Formula: C32H43N3O7 MolecularWeight: 581.69972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2CCC(C1=O)NC(CCCCNC(=O)OCC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2CCC(C1=O)NC(CCCCNC(=O)OCC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C32H43N3O7/c1-5-40-28(36)21-35-27-17-10-9-15-24(27)18-19-25(29(35)37)34-26(30(38)42-32(2,3)4)16-11-12-20-33-31(39)41-22-23-13-7-6-8-14-23/h6-10,13-15,17,25-26,34H,5,11-12,16,18-22H2,1-4H3,(H,33,39)