4-[[4-[5-[bis(azanyl)methylideneamino]pentanoylamino]-1,5-diphenyl-pyrazol-3-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[4-[5-[bis(azanyl)methylideneamino]pentanoylamino]-1,5-diphenyl-pyrazol-3-yl]carbonylamino]benzoic acid Openeye Name: 4-[[4-(5-guanidinopentanoylamino)-1,5-diphenyl-pyrazole-3-carbonyl]amino]benzoic acid CAS Name: 4-[[[4-[[5-(diaminomethylideneamino)-1-oxopentyl]amino]-1,5-diphenyl-3-pyrazolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[4-[5-(diaminomethylideneamino)pentanoylamino]-1,5-diphenylpyrazole-3-carbonyl]amino]benzoic acid Traditional Name: 4-[[4-(5-guanidinopentanoylamino)-1,5-diphenyl-pyrazole-3-carbonyl]amino]benzoic acid Formula: C29H29N7O4 MolecularWeight: 539.58506

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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(=O)O)NC(=O)CCCCN=C(N)N

Isomeric SMILES

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

InChI

InChI=1S/C29H29N7O4/c30-29(31)32-18-8-7-13-23(37)34-24-25(27(38)33-21-16-14-20(15-17-21)28(39)40)35-36(22-11-5-2-6-12-22)26(24)19-9-3-1-4-10-19/h1-6,9-12,14-17H,7-8,13,18H2,(H,33,38)(H,34,37)(H,39,40)(H4,30,31,32)