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

Systemtic Name: (2S)-2-[[(3S)-5-[(4-tert-butylphenyl)methyl]-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-3-cyclohexyl-propanoic acid Openeye Name: (2S)-2-[[(3S)-5-[(4-tert-butylphenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-3-cyclohexyl-propanoic acid CAS Name: (2S)-2-[[(3S)-5-[(4-tert-butylphenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-3-cyclohexylpropanoic acid IUPAC Name: (2S)-2-[[(3S)-5-[(4-tert-butylphenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-3-cyclohexylpropanoic acid Traditional Name: (2S)-2-[[(3S)-5-(4-tert-butylbenzyl)-4-keto-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-3-cyclohexyl-propionic acid Formula: C29H38N2O4 MolecularWeight: 478.62302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H38N2O4/c1-29(2,3)22-15-13-21(14-16-22)18-31-25-11-7-8-12-26(25)35-19-24(27(31)32)30-23(28(33)34)17-20-9-5-4-6-10-20/h7-8,11-16,20,23-24,30H,4-6,9-10,17-19H2,1-3H3,(H,33,34)/t23-,24-/m0/s1