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

Systemtic Name: (2S)-2-[[(3S)-4-oxidanylidene-5-[(4-propan-2-ylphenyl)methyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-3-phenylmethoxy-propanoic acid Openeye Name: (2S)-3-benzyloxy-2-[[(3S)-5-[(4-isopropylphenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]propanoic acid CAS Name: (2S)-2-[[(3S)-4-oxo-5-[(4-propan-2-ylphenyl)methyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-3-phenylmethoxypropanoic acid IUPAC Name: (2S)-2-[[(3S)-4-oxo-5-[(4-propan-2-ylphenyl)methyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-3-phenylmethoxypropanoic acid Traditional Name: (2S)-3-benzoxy-2-[[(3S)-5-(4-isopropylbenzyl)-4-keto-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]propionic acid Formula: C29H32N2O5 MolecularWeight: 488.57478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3OCC(C2=O)NC(COCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3OC[C@@H](C2=O)N[C@@H](COCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C29H32N2O5/c1-20(2)23-14-12-21(13-15-23)16-31-26-10-6-7-11-27(26)36-19-24(28(31)32)30-25(29(33)34)18-35-17-22-8-4-3-5-9-22/h3-15,20,24-25,30H,16-19H2,1-2H3,(H,33,34)/t24-,25-/m0/s1