N2-(N-(1-(N2-L-Isoleucyl-L-arginyl)-L-prolyl)-L-valyl)-L-glutamine
[CAS# 148162-36-1]

Identification

• Name: N2-(N-(1-(N2-L-Isoleucyl-L-arginyl)-L-prolyl)-L-valyl)-L-glutamine
• Synonyms: (2S)-5-Amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-Amino-3-Methyl-Pentanoyl]Amino]-5-Guanidino-Pentanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Methyl-Butanoyl]Amino]-5-Oxo-Pentanoic Acid; (2S)-5-Amino-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-Amino-3-Methyl-1-Oxopentyl]Amino]-5-Guanidino-1-Oxopentyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-3-Methyl-1-Oxobutyl]Amino]-5-Oxopentanoic Acid; (2S)-5-Amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-Amino-3-Methyl-Pentanoyl]Amino]-5-Guanidino-Pentanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Methyl-Butanoyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₂₇H₄₉N₉O₇
• Molecular Weight: 611.74
• CAS Registry Number: 148162-36-1
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@@H](N)C(CC)C)CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(O)=O
• InChI: 1S/C27H49N9O7/c1-5-15(4)20(29)23(39)33-16(8-6-12-32-27(30)31)25(41)36-13-7-9-18(36)22(38)35-21(14(2)3)24(40)34-17(26(42)43)10-11-19(28)37/h14-18,20-21H,5-13,29H2,1-4H3,(H2,28,37)(H,33,39)(H,34,40)(H,35,38)(H,42,43)(H4,30,31,32)/t15?,16-,17-,18-,20-,21-/m0/s1
• InChIKey: JAFYOUPRYNYFED-QCDWPJGMSA-N

Properties

• Density: 1.416g/cm³ (Cal.)