(phenylmethyl) 2-azanyl-3-[2-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]propanoate

Systemtic Name: (phenylmethyl) 2-azanyl-3-[2-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]propanoate Openeye Name: benzyl 2-amino-3-[2-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxo-ethyl]-3-oxo-4H-1,4-benzoxazin-6-yl]propanoate CAS Name: 2-amino-3-[2-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-3-oxo-4H-1,4-benzoxazin-6-yl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-3-[2-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-3-oxo-4H-1,4-benzoxazin-6-yl]propanoate Traditional Name: 2-amino-3-[2-[2-(1H-benzimidazol-2-ylmethylamino)-2-keto-ethyl]-3-keto-4H-1,4-benzoxazin-6-yl]propionic acid benzyl ester Formula: C28H27N5O5 MolecularWeight: 513.54448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CC2=CC3=C(C=C2)OC(C(=O)N3)CC(=O)NCC4=NC5=CC=CC=C5N4)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CC2=CC3=C(C=C2)OC(C(=O)N3)CC(=O)NCC4=NC5=CC=CC=C5N4)N

InChI

InChI=1S/C28H27N5O5/c29-19(28(36)37-16-17-6-2-1-3-7-17)12-18-10-11-23-22(13-18)33-27(35)24(38-23)14-26(34)30-15-25-31-20-8-4-5-9-21(20)32-25/h1-11,13,19,24H,12,14-16,29H2,(H,30,34)(H,31,32)(H,33,35)