5-[7-[(4-carbamimidoylphenyl)carbonylamino]-3-oxidanylidene-1,4-benzoxazin-4-yl]pentanoic acid; ethanoic acid

Systemtic Name: 5-[7-[(4-carbamimidoylphenyl)carbonylamino]-3-oxidanylidene-1,4-benzoxazin-4-yl]pentanoic acid; ethanoic acid Openeye Name: acetic acid; 5-[7-[(4-carbamimidoylbenzoyl)amino]-3-oxo-1,4-benzoxazin-4-yl]pentanoic acid CAS Name: acetic acid; 5-[7-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-3-oxo-1,4-benzoxazin-4-yl]pentanoic acid IUPAC Name: acetic acid; 5-[7-[(4-carbamimidoylbenzoyl)amino]-3-oxo-1,4-benzoxazin-4-yl]pentanoic acid Traditional Name: acetic acid; 5-[7-[(4-amidinobenzoyl)amino]-3-keto-1,4-benzoxazin-4-yl]valeric acid Formula: C23H26N4O7 MolecularWeight: 470.47514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1C(=O)N(C2=C(O1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=N)N)CCCCC(=O)O

Isomeric SMILES

CC(=O)O.C1C(=O)N(C2=C(O1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=N)N)CCCCC(=O)O

InChI

InChI=1S/C21H22N4O5.C2H4O2/c22-20(23)13-4-6-14(7-5-13)21(29)24-15-8-9-16-17(11-15)30-12-18(26)25(16)10-2-1-3-19(27)28;1-2(3)4/h4-9,11H,1-3,10,12H2,(H3,22,23)(H,24,29)(H,27,28);1H3,(H,3,4)