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

Systemtic Name: (2S)-2-[[(3S)-5-[(4-nitrophenyl)methyl]-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-4-phenyl-butanoic acid Openeye Name: (2S)-2-[[(3S)-5-[(4-nitrophenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-4-phenyl-butanoic acid CAS Name: (2S)-2-[[(3S)-5-[(4-nitrophenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-4-phenylbutanoic acid IUPAC Name: (2S)-2-[[(3S)-5-[(4-nitrophenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-4-phenylbutanoic acid Traditional Name: (2S)-2-[[(3S)-4-keto-5-(4-nitrobenzyl)-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-4-phenyl-butyric acid Formula: C26H25N3O6 MolecularWeight: 475.4932

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C2=CC=CC=C2O1)CC3=CC=C(C=C3)[N+](=O)[O-])NC(CCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1[C@@H](C(=O)N(C2=CC=CC=C2O1)CC3=CC=C(C=C3)[N+](=O)[O-])N[C@@H](CCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H25N3O6/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/h1-11,13-14,21-22,27H,12,15-17H2,(H,31,32)/t21-,22-/m0/s1