2-[[2-[(4-carbamimidoylphenyl)methyl]-4-methyl-3-oxidanylidene-1,4-benzoxazin-7-yl]-(phenylmethyl)amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-4-methyl-3-oxidanylidene-1,4-benzoxazin-7-yl]-(phenylmethyl)amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[benzyl-[2-[(4-carbamimidoylphenyl)methyl]-4-methyl-3-oxo-1,4-benzoxazin-7-yl]amino]-2-oxo-acetic acid CAS Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-4-methyl-3-oxo-1,4-benzoxazin-7-yl]-(phenylmethyl)amino]-2-oxoacetic acid IUPAC Name: 2-[benzyl-[2-[(4-carbamimidoylphenyl)methyl]-4-methyl-3-oxo-1,4-benzoxazin-7-yl]amino]-2-oxoacetic acid Traditional Name: 2-[[2-(4-amidinobenzyl)-3-keto-4-methyl-1,4-benzoxazin-7-yl]-benzyl-amino]-2-keto-acetic acid Formula: C26H24N4O5 MolecularWeight: 472.49256

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(CC3=CC=CC=C3)C(=O)C(=O)O)OC(C1=O)CC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(CC3=CC=CC=C3)C(=O)C(=O)O)OC(C1=O)CC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H24N4O5/c1-29-20-12-11-19(30(25(32)26(33)34)15-17-5-3-2-4-6-17)14-21(20)35-22(24(29)31)13-16-7-9-18(10-8-16)23(27)28/h2-12,14,22H,13,15H2,1H3,(H3,27,28)(H,33,34)