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

Systemtic Name: (2S)-2-[[(3S)-5-[(4-dimethylaminophenyl)methyl]-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-4-phenyl-butanoic acid Openeye Name: (2S)-2-[[(3S)-5-[(4-dimethylaminophenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-4-phenyl-butanoic acid CAS Name: (2S)-2-[[(3S)-5-[(4-dimethylaminophenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-4-phenylbutanoic acid IUPAC Name: (2S)-2-[[(3S)-5-[(4-dimethylaminophenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-4-phenylbutanoic acid Traditional Name: (2S)-2-[[(3S)-5-[4-(dimethylamino)benzyl]-4-keto-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-4-phenyl-butyric acid Formula: C28H31N3O4 MolecularWeight: 473.56344

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3OCC(C2=O)NC(CCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3OC[C@@H](C2=O)N[C@@H](CCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H31N3O4/c1-30(2)22-15-12-21(13-16-22)18-31-25-10-6-7-11-26(25)35-19-24(27(31)32)29-23(28(33)34)17-14-20-8-4-3-5-9-20/h3-13,15-16,23-24,29H,14,17-19H2,1-2H3,(H,33,34)/t23-,24-/m0/s1