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

Systemtic Name: 5-[7-[(4-carbamimidoylphenyl)carbonylamino]-3-oxidanylidene-1,4-benzoxazin-4-yl]pentanoic acid Openeye Name: 5-[7-[(4-carbamimidoylbenzoyl)amino]-3-oxo-1,4-benzoxazin-4-yl]pentanoic acid CAS Name: 5-[7-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-3-oxo-1,4-benzoxazin-4-yl]pentanoic acid IUPAC Name: 5-[7-[(4-carbamimidoylbenzoyl)amino]-3-oxo-1,4-benzoxazin-4-yl]pentanoic acid Traditional Name: 5-[7-[(4-amidinobenzoyl)amino]-3-keto-1,4-benzoxazin-4-yl]valeric acid Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

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

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/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/h4-9,11H,1-3,10,12H2,(H3,22,23)(H,24,29)(H,27,28)