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

Systemtic Name: 2-[(3S)-3-[[(2R)-1-ethoxy-1-oxidanylidene-3-phenylsulfanyl-propan-2-yl]amino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[(3S)-3-[[(1R)-2-ethoxy-2-oxo-1-(phenylsulfanylmethyl)ethyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[(3S)-3-[[(2R)-1-ethoxy-1-oxo-3-(phenylthio)propan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[(3S)-3-[[(2R)-1-ethoxy-1-oxo-3-phenylsulfanylpropan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[(3S)-3-[[(1R)-2-ethoxy-2-keto-1-[(phenylthio)methyl]ethyl]amino]-2-keto-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC1=CC=CC=C1)NC2CCC3=CC=CC=C3N(C2=O)CC(=O)O

Isomeric SMILES

CCOC(=O)[C@H](CSC1=CC=CC=C1)N[C@H]2CCC3=CC=CC=C3N(C2=O)CC(=O)O

InChI

InChI=1S/C23H26N2O5S/c1-2-30-23(29)19(15-31-17-9-4-3-5-10-17)24-18-13-12-16-8-6-7-11-20(16)25(22(18)28)14-21(26)27/h3-11,18-19,24H,2,12-15H2,1H3,(H,26,27)/t18-,19-/m0/s1