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

Systemtic Name: (2S)-2-[[(3S)-5-[(4-tert-butylphenyl)methyl]-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-4-cyclohexyl-butanoic acid Openeye Name: (2S)-2-[[(3S)-5-[(4-tert-butylphenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-4-cyclohexyl-butanoic acid CAS Name: (2S)-2-[[(3S)-5-[(4-tert-butylphenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-4-cyclohexylbutanoic acid IUPAC Name: (2S)-2-[[(3S)-5-[(4-tert-butylphenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-4-cyclohexylbutanoic acid Traditional Name: (2S)-2-[[(3S)-5-(4-tert-butylbenzyl)-4-keto-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-4-cyclohexyl-butyric acid Formula: C30H40N2O4 MolecularWeight: 492.6496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3OCC(C2=O)NC(CCC4CCCCC4)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3OC[C@@H](C2=O)N[C@@H](CCC4CCCCC4)C(=O)O

InChI

InChI=1S/C30H40N2O4/c1-30(2,3)23-16-13-22(14-17-23)19-32-26-11-7-8-12-27(26)36-20-25(28(32)33)31-24(29(34)35)18-15-21-9-5-4-6-10-21/h7-8,11-14,16-17,21,24-25,31H,4-6,9-10,15,18-20H2,1-3H3,(H,34,35)/t24-,25-/m0/s1