2-[6-[3-[(1-oxidanidylpyridin-1-ium-2-yl)-phenylmethoxycarbonyl-amino]propanoylamino]-4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl]ethanoate

Systemtic Name: 2-[6-[3-[(1-oxidanidylpyridin-1-ium-2-yl)-phenylmethoxycarbonyl-amino]propanoylamino]-4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl]ethanoate Openeye Name: 2-[6-[3-[benzyloxycarbonyl-(1-oxidopyridin-1-ium-2-yl)amino]propanoylamino]-4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[6-[[3-[(1-oxido-2-pyridin-1-iumyl)-phenylmethoxycarbonylamino]-1-oxopropyl]amino]-4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl]acetate IUPAC Name: 2-[6-[3-[(1-oxidopyridin-1-ium-2-yl)-phenylmethoxycarbonylamino]propanoylamino]-4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[6-[3-[carbobenzoxy-(1-oxidopyridin-1-ium-2-yl)amino]propanoylamino]-4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl]acetate Formula: C32H29N4O7- MolecularWeight: 581.59526

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(N1C3=CC=CC=C3)C=C(C=C2)NC(=O)CCN(C4=CC=CC=[N+]4[O-])C(=O)OCC5=CC=CC=C5)CC(=O)[O-]

Isomeric SMILES

C1C(OC2=C(N1C3=CC=CC=C3)C=C(C=C2)NC(=O)CCN(C4=CC=CC=[N+]4[O-])C(=O)OCC5=CC=CC=C5)CC(=O)[O-]

InChI

InChI=1S/C32H30N4O7/c37-29(16-18-34(30-13-7-8-17-36(30)41)32(40)42-22-23-9-3-1-4-10-23)33-24-14-15-28-27(19-24)35(25-11-5-2-6-12-25)21-26(43-28)20-31(38)39/h1-15,17,19,26H,16,18,20-22H2,(H,33,37)(H,38,39)/p-1