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

Systemtic Name: (2S)-2-[[(3S)-4-oxidanylidene-5-[(4-propan-2-ylphenyl)methyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-3-phenyl-propanoic acid hydrochloride Openeye Name: (2S)-2-[[(3S)-5-[(4-isopropylphenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-3-phenyl-propanoic acid hydrochloride CAS Name: (2S)-2-[[(3S)-4-oxo-5-[(4-propan-2-ylphenyl)methyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-3-phenylpropanoic acid hydrochloride IUPAC Name: (2S)-2-[[(3S)-4-oxo-5-[(4-propan-2-ylphenyl)methyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-3-phenylpropanoic acid hydrochloride Traditional Name: (2S)-2-[[(3S)-5-(4-isopropylbenzyl)-4-keto-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-3-phenyl-propionic acid hydrochloride Formula: C28H31ClN2O4 MolecularWeight: 495.00974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3OCC(C2=O)NC(CC4=CC=CC=C4)C(=O)O.Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3OC[C@@H](C2=O)N[C@@H](CC4=CC=CC=C4)C(=O)O.Cl

InChI

InChI=1S/C28H30N2O4.ClH/c1-19(2)22-14-12-21(13-15-22)17-30-25-10-6-7-11-26(25)34-18-24(27(30)31)29-23(28(32)33)16-20-8-4-3-5-9-20;/h3-15,19,23-24,29H,16-18H2,1-2H3,(H,32,33);1H/t23-,24-;/m0./s1