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

Systemtic Name: (2S)-3-cyclohexyl-2-[[(3S)-4-oxidanylidene-5-[(4-propan-2-ylphenyl)methyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]propanoic acid Openeye Name: (2S)-3-cyclohexyl-2-[[(3S)-5-[(4-isopropylphenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]propanoic acid CAS Name: (2S)-3-cyclohexyl-2-[[(3S)-4-oxo-5-[(4-propan-2-ylphenyl)methyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]propanoic acid IUPAC Name: (2S)-3-cyclohexyl-2-[[(3S)-4-oxo-5-[(4-propan-2-ylphenyl)methyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]propanoic acid Traditional Name: (2S)-3-cyclohexyl-2-[[(3S)-5-(4-isopropylbenzyl)-4-keto-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]propionic acid Formula: C28H36N2O4 MolecularWeight: 464.59644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3OCC(C2=O)NC(CC4CCCCC4)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3OC[C@@H](C2=O)N[C@@H](CC4CCCCC4)C(=O)O

InChI

InChI=1S/C28H36N2O4/c1-19(2)22-14-12-21(13-15-22)17-30-25-10-6-7-11-26(25)34-18-24(27(30)31)29-23(28(32)33)16-20-8-4-3-5-9-20/h6-7,10-15,19-20,23-24,29H,3-5,8-9,16-18H2,1-2H3,(H,32,33)/t23-,24-/m0/s1