2-[(3S)-3-[[(2S)-1-ethoxy-1-oxidanylidene-hexan-2-yl]amino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid

Systemtic Name: 2-[(3S)-3-[[(2S)-1-ethoxy-1-oxidanylidene-hexan-2-yl]amino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[(3S)-3-[[(1S)-1-ethoxycarbonylpentyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[(3S)-3-[[(2S)-1-ethoxy-1-oxohexan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[(3S)-3-[[(2S)-1-ethoxy-1-oxohexan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[(3S)-3-[[(1S)-1-carbethoxypentyl]amino]-2-keto-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OCC)NC1CCC2=CC=CC=C2N(C1=O)CC(=O)O

Isomeric SMILES

CCCC[C@@H](C(=O)OCC)N[C@H]1CCC2=CC=CC=C2N(C1=O)CC(=O)O

InChI

InChI=1S/C20H28N2O5/c1-3-5-9-16(20(26)27-4-2)21-15-12-11-14-8-6-7-10-17(14)22(19(15)25)13-18(23)24/h6-8,10,15-16,21H,3-5,9,11-13H2,1-2H3,(H,23,24)/t15-,16-/m0/s1