N2-(1-(N2-Acetyl-L-arginyl)-L-prolyl)-N-(2-methylpropyl)-L-alpha-Asparagine 2-hydroxy-1,2,3-propanetricarboxylate
[CAS# 174024-80-7]

Identification

• Name: N2-(1-(N2-Acetyl-L-arginyl)-L-prolyl)-N-(2-methylpropyl)-L-alpha-Asparagine 2-hydroxy-1,2,3-propanetricarboxylate
• Synonyms: (2S)-2-[[(2S)-1-[(2S)-2-Acetamido-5-Guanidino-Pentanoyl]Pyrrolidine-2-Carbonyl]-Isobutyl-Amino]-4-Amino-4-Oxo-Butanoic Acid; Citric Acid; (2S)-2-[[[(2S)-1-[(2S)-2-Acetamido-5-Guanidino-1-Oxopentyl]-2-Pyrrolidinyl]-Oxomethyl]-Isobutylamino]-4-Amino-4-Oxobutanoic Acid; Citric Acid; (2S)-2-[[(2S)-1-[(2S)-2-Acetamido-5-Guanidino-Pentanoyl]Pyrrolidine-2-Carbonyl]-Isobutyl-Amino]-4-Amino-4-Keto-Butyric Acid; Citric Acid
• Molecular Formula: C₂₇H₄₅N₇O₁₃
• Molecular Weight: 675.69
• CAS Registry Number: 174024-80-7
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)C)CCCN=C(N)N)C(=O)N(CC(C)C)[C@@H](CC(=O)N)C(O)=O.C(C(O)(CC(O)=O)C(O)=O)C(O)=O
• InChI: 1S/C21H37N7O6.C6H8O7/c1-12(2)11-28(16(20(33)34)10-17(22)30)19(32)15-7-5-9-27(15)18(31)14(26-13(3)29)6-4-8-25-21(23)24;7-3(8)1-6(13,5(11)12)2-4(9)10/h12,14-16H,4-11H2,1-3H3,(H2,22,30)(H,26,29)(H,33,34)(H4,23,24,25);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t14-,15-,16-;/m0./s1
• InChIKey: QYFSXEMQMRSJQU-NLQWVURJSA-N