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

Systemtic Name: (2S)-3-methyl-2-[[(3S)-4-oxidanylidene-5-[(4-propan-2-ylphenyl)methyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]butanoic acid Openeye Name: (2S)-2-[[(3S)-5-[(4-isopropylphenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-3-methyl-butanoic acid CAS Name: (2S)-3-methyl-2-[[(3S)-4-oxo-5-[(4-propan-2-ylphenyl)methyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[[(3S)-4-oxo-5-[(4-propan-2-ylphenyl)methyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]butanoic acid Traditional Name: (2S)-2-[[(3S)-5-(4-isopropylbenzyl)-4-keto-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-3-methyl-butyric acid Formula: C24H30N2O4 MolecularWeight: 410.506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O4/c1-15(2)18-11-9-17(10-12-18)13-26-20-7-5-6-8-21(20)30-14-19(23(26)27)25-22(16(3)4)24(28)29/h5-12,15-16,19,22,25H,13-14H2,1-4H3,(H,28,29)/t19-,22-/m0/s1