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

Systemtic Name: ethyl (2S)-6-azanyl-2-[[(3S)-1-(2-ethoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]amino]hexanoate Openeye Name: ethyl (2S)-6-amino-2-[[(3S)-1-(2-ethoxy-2-oxo-ethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]hexanoate CAS Name: (2S)-6-amino-2-[[(3S)-1-(2-ethoxy-2-oxoethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]hexanoic acid ethyl ester IUPAC Name: ethyl (2S)-6-amino-2-[[(3S)-1-(2-ethoxy-2-oxoethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]hexanoate Traditional Name: (2S)-6-amino-2-[[(3S)-1-(2-ethoxy-2-keto-ethyl)-2-keto-4,5-dihydro-3H-1-benzazepin-3-yl]amino]hexanoic acid ethyl ester Formula: C22H33N3O5 MolecularWeight: 419.51452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2CCC(C1=O)NC(CCCCN)C(=O)OCC

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2CC[C@@H](C1=O)N[C@@H](CCCCN)C(=O)OCC

InChI

InChI=1S/C22H33N3O5/c1-3-29-20(26)15-25-19-11-6-5-9-16(19)12-13-17(21(25)27)24-18(10-7-8-14-23)22(28)30-4-2/h5-6,9,11,17-18,24H,3-4,7-8,10,12-15,23H2,1-2H3/t17-,18-/m0/s1