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

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 hydrochloride Openeye Name: (2S)-2-[[(3S)-5-[(4-isopropylphenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-3-methyl-butanoic acid hydrochloride 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 hydrochloride 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 hydrochloride Traditional Name: (2S)-2-[[(3S)-5-(4-isopropylbenzyl)-4-keto-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-3-methyl-butyric acid hydrochloride Formula: C24H31ClN2O4 MolecularWeight: 446.96694

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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.Cl

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.Cl

InChI

InChI=1S/C24H30N2O4.ClH/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);1H/t19-,22-;/m0./s1