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

Systemtic Name: (2S)-4-cyclohexyl-2-[[(3S)-5-[(4-ethylphenyl)methyl]-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]butanoic acid Openeye Name: (2S)-4-cyclohexyl-2-[[(3S)-5-[(4-ethylphenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]butanoic acid CAS Name: (2S)-4-cyclohexyl-2-[[(3S)-5-[(4-ethylphenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]butanoic acid IUPAC Name: (2S)-4-cyclohexyl-2-[[(3S)-5-[(4-ethylphenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]butanoic acid Traditional Name: (2S)-4-cyclohexyl-2-[[(3S)-5-(4-ethylbenzyl)-4-keto-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]butyric acid Formula: C28H36N2O4 MolecularWeight: 464.59644

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2C3=CC=CC=C3OCC(C2=O)NC(CCC4CCCCC4)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CN2C3=CC=CC=C3OC[C@@H](C2=O)N[C@@H](CCC4CCCCC4)C(=O)O

InChI

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