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

Systemtic Name: (2S)-4-cyclohexyl-2-[[(3S)-5-[(4-methoxyphenyl)methyl]-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]butanoic acid Openeye Name: (2S)-4-cyclohexyl-2-[[(3S)-5-[(4-methoxyphenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]butanoic acid CAS Name: (2S)-4-cyclohexyl-2-[[(3S)-5-[(4-methoxyphenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]butanoic acid IUPAC Name: (2S)-4-cyclohexyl-2-[[(3S)-5-[(4-methoxyphenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]butanoic acid Traditional Name: (2S)-4-cyclohexyl-2-[[(3S)-4-keto-5-p-anisyl-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]butyric acid Formula: C27H34N2O5 MolecularWeight: 466.56926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C3=CC=CC=C3OCC(C2=O)NC(CCC4CCCCC4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CN2C3=CC=CC=C3OC[C@@H](C2=O)N[C@@H](CCC4CCCCC4)C(=O)O

InChI

InChI=1S/C27H34N2O5/c1-33-21-14-11-20(12-15-21)17-29-24-9-5-6-10-25(24)34-18-23(26(29)30)28-22(27(31)32)16-13-19-7-3-2-4-8-19/h5-6,9-12,14-15,19,22-23,28H,2-4,7-8,13,16-18H2,1H3,(H,31,32)/t22-,23-/m0/s1