(2S)-4-[(3R)-3-acetamido-3-phenyl-propanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2S)-4-[(3R)-3-acetamido-3-phenyl-propanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2S)-4-[(3R)-3-acetamido-3-phenyl-propanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2S)-4-[(3R)-3-acetamido-1-oxo-3-phenylpropyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2S)-4-[(3R)-3-acetamido-3-phenylpropanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2S)-4-[(3R)-3-acetamido-3-phenyl-propanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)N1CC(OC2=CC=CC=C21)C(=O)NC)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@H](CC(=O)N1C[C@H](OC2=CC=CC=C21)C(=O)NC)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O4/c1-14(25)23-16(15-8-4-3-5-9-15)12-20(26)24-13-19(21(27)22-2)28-18-11-7-6-10-17(18)24/h3-11,16,19H,12-13H2,1-2H3,(H,22,27)(H,23,25)/t16-,19+/m1/s1