(3S)-3-[8-(Diaminomethylideneamino)Octanoylamino]-4-[2-(4-Methoxyphenyl)Ethylamino]-4-Oxobutanoic Acid
[CAS# 126631-86-5]

Identification

• Name: (3S)-3-[8-(Diaminomethylideneamino)Octanoylamino]-4-[2-(4-Methoxyphenyl)Ethylamino]-4-Oxobutanoic Acid
• Synonyms: (3S)-3-(8-Guanidinooctanoylamino)-4-[2-(4-Methoxyphenyl)Ethylamino]-4-Oxo-Butanoic Acid; (3S)-3-[(8-Guanidino-1-Oxooctyl)Amino]-4-[2-(4-Methoxyphenyl)Ethylamino]-4-Oxobutanoic Acid; (3S)-3-(8-Guanidinooctanoylamino)-4-Keto-4-[2-(4-Methoxyphenyl)Ethylamino]Butyric Acid
• Molecular Formula: C₂₂H₃₅N₅O₅
• Molecular Weight: 449.55
• CAS Registry Number: 126631-86-5
• SMILES: [C@H](NC(=O)CCCCCCCN=C(N)N)(CC(O)=O)C(=O)NCCC1=CC=C(OC)C=C1
• InChI: 1S/C22H35N5O5/c1-32-17-10-8-16(9-11-17)12-14-25-21(31)18(15-20(29)30)27-19(28)7-5-3-2-4-6-13-26-22(23)24/h8-11,18H,2-7,12-15H2,1H3,(H,25,31)(H,27,28)(H,29,30)(H4,23,24,26)/t18-/m0/s1
• InChIKey: LVVRYABDHQGPGK-SFHVURJKSA-N

Properties

• Density: 1.247g/cm³ (Cal.)