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

Systemtic Name: (2S)-2-[[(3S)-5-[(4-aminophenyl)methyl]-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[(3S)-5-[(4-aminophenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[(3S)-5-[(4-aminophenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[(3S)-5-[(4-aminophenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[(3S)-5-(4-aminobenzyl)-4-keto-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-3-phenyl-propionic acid Formula: C25H25N3O4 MolecularWeight: 431.4837

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C2=CC=CC=C2O1)CC3=CC=C(C=C3)N)NC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1[C@@H](C(=O)N(C2=CC=CC=C2O1)CC3=CC=C(C=C3)N)N[C@@H](CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H25N3O4/c26-19-12-10-18(11-13-19)15-28-22-8-4-5-9-23(22)32-16-21(24(28)29)27-20(25(30)31)14-17-6-2-1-3-7-17/h1-13,20-21,27H,14-16,26H2,(H,30,31)/t20-,21-/m0/s1