Leucyl-N⁵-(Diaminomethylene)Ornithylalanylhistidylalanylvalyl-alpha-Aspartylvalylasparaginylglycinamide
[CAS# 127650-08-2]

Identification

• Name: Leucyl-N⁵-(Diaminomethylene)Ornithylalanylhistidylalanylvalyl-alpha-Aspartylvalylasparaginylglycinamide
• Synonyms: "(3S)-4-[[(2S)-1-[[(2S)-4-amino-1-[(2-amino-2-oxoethyl)amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl; ]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoic acid"
• Molecular Formula: C₄₄H₇₅N₁₇O₁₃
• Molecular Weight: 1050.17
• CAS Registry Number: 127650-08-2
• SMILES: CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(C)C(=O)NC(CC1=CN=CN1)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)NC(C(C)C)C(=O)NC(CC(=O)N)C(=O)NCC(=O)N)N
• InChI: 1S/C44H75N17O13/c1-19(2)12-25(45)37(68)56-26(10-9-11-51-44(48)49)39(70)54-22(7)35(66)57-27(13-24-16-50-18-53-24)40(71)55-23(8)36(67)60-33(20(3)4)42(73)59-29(15-32(64)65)41(72)61-34(21(5)6)43(74)58-28(14-30(46)62)38(69)52-17-31(47)63/h16,18-23,25-29,33-34H,9-15,17,45H2,1-8H3,(H2,46,62)(H2,47,63)(H,50,53)(H,52,69)(H,54,70)(H,55,71)(H,56,68)(H,57,66)(H,58,74)(H,59,73)(H,60,67)(H,61,72)(H,64,65)(H4,48,49,51)
• InChIKey: GJLQWIUMNGZLLJ-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Refractive index: 1.653 (Cal.)