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

Systemtic Name: (2S)-4-methyl-2-[[(3S)-4-oxidanylidene-5-[(4-propan-2-ylphenyl)methyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]pentanoic acid hydrochloride Openeye Name: (2S)-2-[[(3S)-5-[(4-isopropylphenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-4-methyl-pentanoic acid hydrochloride CAS Name: (2S)-4-methyl-2-[[(3S)-4-oxo-5-[(4-propan-2-ylphenyl)methyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]pentanoic acid hydrochloride IUPAC Name: (2S)-4-methyl-2-[[(3S)-4-oxo-5-[(4-propan-2-ylphenyl)methyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]pentanoic acid hydrochloride Traditional Name: (2S)-2-[[(3S)-5-(4-isopropylbenzyl)-4-keto-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-4-methyl-valeric acid hydrochloride Formula: C25H33ClN2O4 MolecularWeight: 460.99352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC1COC2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)C(C)C.Cl

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)N[C@H]1COC2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)C(C)C.Cl

InChI

InChI=1S/C25H32N2O4.ClH/c1-16(2)13-20(25(29)30)26-21-15-31-23-8-6-5-7-22(23)27(24(21)28)14-18-9-11-19(12-10-18)17(3)4;/h5-12,16-17,20-21,26H,13-15H2,1-4H3,(H,29,30);1H/t20-,21-;/m0./s1