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

Systemtic Name: (2S)-2-[[(3S)-5-[(4-bromophenyl)methyl]-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-4-cyclohexyl-butanoic acid Openeye Name: (2S)-2-[[(3S)-5-[(4-bromophenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-4-cyclohexyl-butanoic acid CAS Name: (2S)-2-[[(3S)-5-[(4-bromophenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-4-cyclohexylbutanoic acid IUPAC Name: (2S)-2-[[(3S)-5-[(4-bromophenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-4-cyclohexylbutanoic acid Traditional Name: (2S)-2-[[(3S)-5-(4-bromobenzyl)-4-keto-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-4-cyclohexyl-butyric acid Formula: C26H31BrN2O4 MolecularWeight: 515.43934

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C26H31BrN2O4/c27-20-13-10-19(11-14-20)16-29-23-8-4-5-9-24(23)33-17-22(25(29)30)28-21(26(31)32)15-12-18-6-2-1-3-7-18/h4-5,8-11,13-14,18,21-22,28H,1-3,6-7,12,15-17H2,(H,31,32)/t21-,22-/m0/s1