5-[[3-[(4-carbamimidoylphenyl)carbamoyl]-1,5-diphenyl-pyrazol-4-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[3-[(4-carbamimidoylphenyl)carbamoyl]-1,5-diphenyl-pyrazol-4-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[3-[(4-carbamimidoylphenyl)carbamoyl]-1,5-diphenyl-pyrazol-4-yl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[3-[(4-carbamimidoylanilino)-oxomethyl]-1,5-diphenyl-4-pyrazolyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[3-[(4-carbamimidoylphenyl)carbamoyl]-1,5-diphenylpyrazol-4-yl]amino]-5-oxopentanoic acid Traditional Name: 5-[[3-[(4-amidinophenyl)carbamoyl]-1,5-diphenyl-pyrazol-4-yl]amino]-5-keto-valeric acid Formula: C28H26N6O4 MolecularWeight: 510.54384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NN2C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=N)N)NC(=O)CCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NN2C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=N)N)NC(=O)CCCC(=O)O

InChI

InChI=1S/C28H26N6O4/c29-27(30)19-14-16-20(17-15-19)31-28(38)25-24(32-22(35)12-7-13-23(36)37)26(18-8-3-1-4-9-18)34(33-25)21-10-5-2-6-11-21/h1-6,8-11,14-17H,7,12-13H2,(H3,29,30)(H,31,38)(H,32,35)(H,36,37)