(2S)-2-[[(2S)-2-[4-(4-Carbamimidoylphenoxy)Butanoylamino]-4-Hydroxy-4-Oxobutanoyl]Amino]-3-Methylbutanoic Acid
[CAS# 147865-49-4]

Identification

• Name: (2S)-2-[[(2S)-2-[4-(4-Carbamimidoylphenoxy)Butanoylamino]-4-Hydroxy-4-Oxobutanoyl]Amino]-3-Methylbutanoic Acid
• Synonyms: (2S)-2-[[(2S)-2-[4-(4-Carbamimidoylphenoxy)Butanoylamino]-4-Hydroxy-4-Oxo-Butanoyl]Amino]-3-Methyl-Butanoic Acid; (2S)-2-[[(2S)-2-[[4-(4-Carbamimidoylphenoxy)-1-Oxobutyl]Amino]-4-Hydroxy-1,4-Dioxobutyl]Amino]-3-Methylbutanoic Acid; (2S)-2-[[(2S)-2-[4-(4-Amidinophenoxy)Butanoylamino]-4-Hydroxy-4-Keto-Butanoyl]Amino]-3-Methyl-Butyric Acid
• Molecular Formula: C₂₀H₂₈N₄O₇
• Molecular Weight: 436.46
• CAS Registry Number: 147865-49-4
• SMILES: [C@@H](NC(=O)CCCOC1=CC=C(C=C1)C(=N)N)(C(=O)N[C@H](C(=O)O)C(C)C)CC(=O)O
• InChI: 1S/C20H28N4O7/c1-11(2)17(20(29)30)24-19(28)14(10-16(26)27)23-15(25)4-3-9-31-13-7-5-12(6-8-13)18(21)22/h5-8,11,14,17H,3-4,9-10H2,1-2H3,(H3,21,22)(H,23,25)(H,24,28)(H,26,27)(H,29,30)/t14-,17-/m0/s1
• InChIKey: JFCXCBBSUORTNS-YOEHRIQHSA-N

Properties

• Density: 1.376g/cm³ (Cal.)