3-[5-(4-carbamimidoylphenoxy)pentanoylamino]-2-[(2-nitrophenyl)sulfonylamino]propanoic acid

Systemtic Name: 3-[5-(4-carbamimidoylphenoxy)pentanoylamino]-2-[(2-nitrophenyl)sulfonylamino]propanoic acid Openeye Name: 3-[5-(4-carbamimidoylphenoxy)pentanoylamino]-2-[(2-nitrophenyl)sulfonylamino]propanoic acid CAS Name: 3-[[5-(4-carbamimidoylphenoxy)-1-oxopentyl]amino]-2-[(2-nitrophenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[5-(4-carbamimidoylphenoxy)pentanoylamino]-2-[(2-nitrophenyl)sulfonylamino]propanoic acid Traditional Name: 3-[5-(4-amidinophenoxy)pentanoylamino]-2-[(2-nitrophenyl)sulfonylamino]propionic acid Formula: C21H25N5O8S MolecularWeight: 507.5169

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NC(CNC(=O)CCCCOC2=CC=C(C=C2)C(=N)N)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NC(CNC(=O)CCCCOC2=CC=C(C=C2)C(=N)N)C(=O)O

InChI

InChI=1S/C21H25N5O8S/c22-20(23)14-8-10-15(11-9-14)34-12-4-3-7-19(27)24-13-16(21(28)29)25-35(32,33)18-6-2-1-5-17(18)26(30)31/h1-2,5-6,8-11,16,25H,3-4,7,12-13H2,(H3,22,23)(H,24,27)(H,28,29)