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

Systemtic Name: (phenylmethyl) 2-azanyl-3-[2-[2-(1H-imidazol-2-ylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]propanoate Openeye Name: benzyl 2-amino-3-[2-[2-(1H-imidazol-2-ylamino)-2-oxo-ethyl]-3-oxo-4H-1,4-benzoxazin-6-yl]propanoate CAS Name: 2-amino-3-[2-[2-(1H-imidazol-2-ylamino)-2-oxoethyl]-3-oxo-4H-1,4-benzoxazin-6-yl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-3-[2-[2-(1H-imidazol-2-ylamino)-2-oxoethyl]-3-oxo-4H-1,4-benzoxazin-6-yl]propanoate Traditional Name: 2-amino-3-[2-[2-(1H-imidazol-2-ylamino)-2-keto-ethyl]-3-keto-4H-1,4-benzoxazin-6-yl]propionic acid benzyl ester Formula: C23H23N5O5 MolecularWeight: 449.45922

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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)NC4=NC=CN4)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CC2=CC3=C(C=C2)OC(C(=O)N3)CC(=O)NC4=NC=CN4)N

InChI

InChI=1S/C23H23N5O5/c24-16(22(31)32-13-14-4-2-1-3-5-14)10-15-6-7-18-17(11-15)27-21(30)19(33-18)12-20(29)28-23-25-8-9-26-23/h1-9,11,16,19H,10,12-13,24H2,(H,27,30)(H2,25,26,28,29)