1-[5-[2-(3-carbamimidoylphenyl)-3-oxidanylidene-1,4-benzothiazin-4-yl]pentyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[5-[2-(3-carbamimidoylphenyl)-3-oxidanylidene-1,4-benzothiazin-4-yl]pentyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[5-[2-(3-carbamimidoylphenyl)-3-oxo-1,4-benzothiazin-4-yl]pentyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[5-[2-(3-carbamimidoylphenyl)-3-oxo-1,4-benzothiazin-4-yl]pentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[5-[2-(3-carbamimidoylphenyl)-3-oxo-1,4-benzothiazin-4-yl]pentyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[5-[2-(3-amidinophenyl)-3-keto-1,4-benzothiazin-4-yl]pentyl]proline Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CCCCCN2C3=CC=CC=C3SC(C2=O)C4=CC=CC(=C4)C(=N)N)C(=O)O

Isomeric SMILES

C1CC(N(C1)CCCCCN2C3=CC=CC=C3SC(C2=O)C4=CC=CC(=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C25H30N4O3S/c26-23(27)18-9-6-8-17(16-18)22-24(30)29(19-10-2-3-12-21(19)33-22)15-5-1-4-13-28-14-7-11-20(28)25(31)32/h2-3,6,8-10,12,16,20,22H,1,4-5,7,11,13-15H2,(H3,26,27)(H,31,32)