Isoleucyl-arginyl-isoleucyl-cysteinyl-arginyl-lysyl-glycine ethyl ester
[CAS# 110786-25-9]

Identification

• Name: Isoleucyl-arginyl-isoleucyl-cysteinyl-arginyl-lysyl-glycine ethyl ester
• Synonyms: Ethyl 2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-Amino-3-Methyl-Pentanoyl]Amino]-5-Guanidino-Pentanoyl]Amino]-3-Methyl-Pentanoyl]Amino]-3-Sulfanyl-Propanoyl]Amino]-5-Guanidino-Pentanoyl]Amino]Hexanoyl]Amino]Acetate; 2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-Amino-3-Methyl-1-Oxopentyl]Amino]-5-Guanidino-1-Oxopentyl]Amino]-3-Methyl-1-Oxopentyl]Amino]-3-Mercapto-1-Oxopropyl]Amino]-5-Guanidino-1-Oxopentyl]Amino]-1-Oxohexyl]Amino]Acetic Acid Ethyl Ester; 2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-Amino-3-Methyl-Pentanoyl]Amino]-5-Guanidino-Pentanoyl]Amino]-3-Methyl-Pentanoyl]Amino]-3-Mercapto-Propanoyl]Amino]-5-Guanidino-Pentanoyl]Amino]Hexanoyl]Amino]Acetic Acid Ethyl Ester
• Molecular Formula: C₃₇H₇₂N₁₄O₈S
• Molecular Weight: 873.12
• CAS Registry Number: 110786-25-9
• SMILES: [C@@H]([C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)[C@H](CC)C)CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(OCC)=O)CS)(CC)C
• InChI: 1S/C37H72N14O8S/c1-6-21(4)28(39)34(57)49-25(15-12-18-45-37(42)43)32(55)51-29(22(5)7-2)35(58)50-26(20-60)33(56)48-24(14-11-17-44-36(40)41)31(54)47-23(13-9-10-16-38)30(53)46-19-27(52)59-8-3/h21-26,28-29,60H,6-20,38-39H2,1-5H3,(H,46,53)(H,47,54)(H,48,56)(H,49,57)(H,50,58)(H,51,55)(H4,40,41,44)(H4,42,43,45)/t21-,22-,23-,24-,25-,26-,28-,29-/m0/s1
• InChIKey: FJMNQECFLCHDHV-YIVJWCLZSA-N

Properties

• Density: 1.373g/cm³ (Cal.)