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

Systemtic Name: (2S)-4-cyclohexyl-2-[[(3S)-5-[(4-nitrophenyl)methyl]-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]butanoic acid Openeye Name: (2S)-4-cyclohexyl-2-[[(3S)-5-[(4-nitrophenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]butanoic acid CAS Name: (2S)-4-cyclohexyl-2-[[(3S)-5-[(4-nitrophenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]butanoic acid IUPAC Name: (2S)-4-cyclohexyl-2-[[(3S)-5-[(4-nitrophenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]butanoic acid Traditional Name: (2S)-4-cyclohexyl-2-[[(3S)-4-keto-5-(4-nitrobenzyl)-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]butyric acid Formula: C26H31N3O6 MolecularWeight: 481.54084

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(C(=O)O)NC2COC3=CC=CC=C3N(C2=O)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)CC[C@@H](C(=O)O)N[C@H]2COC3=CC=CC=C3N(C2=O)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H31N3O6/c30-25-22(27-21(26(31)32)15-12-18-6-2-1-3-7-18)17-35-24-9-5-4-8-23(24)28(25)16-19-10-13-20(14-11-19)29(33)34/h4-5,8-11,13-14,18,21-22,27H,1-3,6-7,12,15-17H2,(H,31,32)/t21-,22-/m0/s1