N-Acetyl-L-Isoleucyl-L-alpha-Glutamylglycyl-N-(4-Nitrophenyl)-L-Argininamide
[CAS# 85205-64-7]

Identification

• Name: N-Acetyl-L-Isoleucyl-L-alpha-Glutamylglycyl-N-(4-Nitrophenyl)-L-Argininamide
• Synonyms: (4S)-4-[[(2S,3S)-2-Acetamido-3-Methyl-Pentanoyl]Amino]-5-[[2-[[(2S)-5-Guanidino-2-[(4-Nitrophenyl)Amino]Pentanoyl]Amino]-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid; (4S)-4-[[(2S,3S)-2-Acetamido-3-Methyl-1-Oxopentyl]Amino]-5-[[2-[[(2S)-5-Guanidino-2-[(4-Nitrophenyl)Amino]-1-Oxopentyl]Amino]-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; (4S)-4-[[(2S,3S)-2-Acetamido-3-Methyl-Pentanoyl]Amino]-5-[[2-[[(2S)-5-Guanidino-2-[(4-Nitrophenyl)Amino]Pentanoyl]Amino]-2-Keto-Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₂₇H₄₁N₉O₉
• Molecular Weight: 635.68
• CAS Registry Number: 85205-64-7
• SMILES: [C@@H]([C@H](NC(=O)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)NC(=O)[C@@H](NC1=CC=C([N+]([O-])=O)C=C1)CCCN=C(N)N)(CC)C
• InChI: 1S/C27H41N9O9/c1-4-15(2)23(32-16(3)37)26(43)34-20(11-12-22(39)40)24(41)31-14-21(38)35-25(42)19(6-5-13-30-27(28)29)33-17-7-9-18(10-8-17)36(44)45/h7-10,15,19-20,23,33H,4-6,11-14H2,1-3H3,(H,31,41)(H,32,37)(H,34,43)(H,39,40)(H4,28,29,30)(H,35,38,42)/t15-,19-,20-,23-/m0/s1
• InChIKey: BFPSMRBXKCHWJI-AEEVCGNZSA-N

Properties

• Density: 1.434g/cm³ (Cal.)