(phenylmethyl) (2R)-2-[[(2S)-2,6-dimethyl-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) (2R)-2-[[(2S)-2,6-dimethyl-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: benzyl (2R)-2-[[(2S)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2R)-2-[[[(2S)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-2-yl]-oxomethyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-2-[[(2S)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2R)-2-[[(2S)-3-keto-2,6-dimethyl-4H-1,4-benzoxazine-2-carbonyl]amino]-3-phenyl-propionic acid benzyl ester Formula: C27H26N2O5 MolecularWeight: 458.50574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(C(=O)N2)(C)C(=O)NC(CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)O[C@@](C(=O)N2)(C)C(=O)N[C@H](CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O5/c1-18-13-14-23-21(15-18)28-25(31)27(2,34-23)26(32)29-22(16-19-9-5-3-6-10-19)24(30)33-17-20-11-7-4-8-12-20/h3-15,22H,16-17H2,1-2H3,(H,28,31)(H,29,32)/t22-,27-/m1/s1