(2S)-3-(4-fluorophenyl)-2-[[(3S)-4-oxidanylidene-5-[(4-propan-2-ylphenyl)methyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]propanoic acid hydrochloride

Systemtic Name: (2S)-3-(4-fluorophenyl)-2-[[(3S)-4-oxidanylidene-5-[(4-propan-2-ylphenyl)methyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]propanoic acid hydrochloride Openeye Name: (2S)-3-(4-fluorophenyl)-2-[[(3S)-5-[(4-isopropylphenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]propanoic acid hydrochloride CAS Name: (2S)-3-(4-fluorophenyl)-2-[[(3S)-4-oxo-5-[(4-propan-2-ylphenyl)methyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]propanoic acid hydrochloride IUPAC Name: (2S)-3-(4-fluorophenyl)-2-[[(3S)-4-oxo-5-[(4-propan-2-ylphenyl)methyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]propanoic acid hydrochloride Traditional Name: (2S)-3-(4-fluorophenyl)-2-[[(3S)-5-(4-isopropylbenzyl)-4-keto-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]propionic acid hydrochloride Formula: C28H30ClFN2O4 MolecularWeight: 513.000203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3OCC(C2=O)NC(CC4=CC=C(C=C4)F)C(=O)O.Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3OC[C@@H](C2=O)N[C@@H](CC4=CC=C(C=C4)F)C(=O)O.Cl

InChI

InChI=1S/C28H29FN2O4.ClH/c1-18(2)21-11-7-20(8-12-21)16-31-25-5-3-4-6-26(25)35-17-24(27(31)32)30-23(28(33)34)15-19-9-13-22(29)14-10-19;/h3-14,18,23-24,30H,15-17H2,1-2H3,(H,33,34);1H/t23-,24-;/m0./s1