(S)-4-((5-Guanidino-2-(benzoylamino)-1-oxopentyl)amino)benzoic acid
[CAS# 60833-82-1]

Identification

• Name: (S)-4-((5-Guanidino-2-(benzoylamino)-1-oxopentyl)amino)benzoic acid
• Synonyms: 4-[[2-(Benzoylamino)-5-Guanidino-Pentanoyl]Amino]Benzoic Acid; 4-[[5-Guanidino-1-Oxo-2-[(Oxo-Phenylmethyl)Amino]Pentyl]Amino]Benzoic Acid; 4-[[5-(Diaminomethylideneamino)-2-(Phenylcarbonylamino)Pentanoyl]Amino]Benzoic Acid
• Molecular Formula: C₂₀H₂₃N₅O₄
• Molecular Weight: 397.43
• CAS Registry Number: 60833-82-1
• EINECS: 262-449-0
• SMILES: C2=C(NC(=O)C(NC(=O)C1=CC=CC=C1)CCCN=C(N)N)C=CC(=C2)C(O)=O
• InChI: 1S/C20H23N5O4/c21-20(22)23-12-4-7-16(25-17(26)13-5-2-1-3-6-13)18(27)24-15-10-8-14(9-11-15)19(28)29/h1-3,5-6,8-11,16H,4,7,12H2,(H,24,27)(H,25,26)(H,28,29)(H4,21,22,23)
• InChIKey: TUZAVLAUJHUFLA-UHFFFAOYSA-N

Properties

• Density: 1.351g/cm³ (Cal.)