2-[[(1R)-2-[(2S)-2-[(4-Carbamimidoylphenyl)Methylcarbamoyl]Azetidin-1-Yl]-1-Cyclohexyl-2-Oxoethyl]Amino]Acetic Acid
[CAS# 159776-70-2]

Identification

• Name: 2-[[(1R)-2-[(2S)-2-[(4-Carbamimidoylphenyl)Methylcarbamoyl]Azetidin-1-Yl]-1-Cyclohexyl-2-Oxoethyl]Amino]Acetic Acid
• Synonyms: 2-[[(1R)-2-[(2S)-2-[(4-Carbamimidoylphenyl)Methylcarbamoyl]Azetidin-1-Yl]-1-Cyclohexyl-2-Oxo-Ethyl]Amino]Acetic Acid; 2-[[(1R)-2-[(2S)-2-[[(4-Carbamimidoylphenyl)Methylamino]-Oxomethyl]-1-Azetidinyl]-1-Cyclohexyl-2-Oxoethyl]Amino]Acetic Acid; 2-[[(1R)-2-[(2S)-2-[(4-Amidinobenzyl)Carbamoyl]Azetidin-1-Yl]-1-Cyclohexyl-2-Keto-Ethyl]Amino]Acetic Acid
• Molecular Formula: C₂₂H₃₁N₅O₄
• Molecular Weight: 429.52
• CAS Registry Number: 159776-70-2
• SMILES: [C@@H]2(N(C([C@@H](C1CCCCC1)NCC(O)=O)=O)CC2)C(NCC3=CC=C(C=C3)C(N)=N)=O
• InChI: 1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1
• InChIKey: DKWNMCUOEDMMIN-PKOBYXMFSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)