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

Systemtic Name: (2S)-3-cyclohexyl-2-[[(3S)-5-[(4-nitrophenyl)methyl]-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]propanoic acid Openeye Name: (2S)-3-cyclohexyl-2-[[(3S)-5-[(4-nitrophenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]propanoic acid CAS Name: (2S)-3-cyclohexyl-2-[[(3S)-5-[(4-nitrophenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]propanoic acid IUPAC Name: (2S)-3-cyclohexyl-2-[[(3S)-5-[(4-nitrophenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]propanoic acid Traditional Name: (2S)-3-cyclohexyl-2-[[(3S)-4-keto-5-(4-nitrobenzyl)-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]propionic acid Formula: C25H29N3O6 MolecularWeight: 467.51426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CCC(CC1)C[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/C25H29N3O6/c29-24-21(26-20(25(30)31)14-17-6-2-1-3-7-17)16-34-23-9-5-4-8-22(23)27(24)15-18-10-12-19(13-11-18)28(32)33/h4-5,8-13,17,20-21,26H,1-3,6-7,14-16H2,(H,30,31)/t20-,21-/m0/s1