Tuftsinyltuftsin
[CAS# 80938-76-7]

Identification

• Name: Tuftsinyltuftsin
• Synonyms: (2S)-2-[[(2S)-1-[(2S)-6-Amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-Amino-2-[[(2S,3R)-2-Amino-3-Hydroxy-Butanoyl]Amino]Hexanoyl]Pyrrolidine-2-Carbonyl]Amino]-5-Guanidino-Pentanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]Hexanoyl]Pyrrolidine-2-Carbonyl]Amino]-5-Guanidino-Pentanoic Acid; (2S)-2-[[[(2S)-1-[(2S)-6-Amino-2-[[(2S,3R)-2-[[(2S)-2-[[[(2S)-1-[(2S)-6-Amino-2-[[(2S,3R)-2-Amino-3-Hydroxy-1-Oxobutyl]Amino]-1-Oxohexyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-5-Guanidino-1-Oxopentyl]Amino]-3-Hydroxy-1-Oxobutyl]Amino]-1-Oxohexyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-5-Guanidinopentanoic Acid; (2S)-2-[[(2S)-1-[(2S)-6-Amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-Amino-2-[[(2S,3R)-2-Amino-3-Hydroxy-Butanoyl]Amino]Hexanoyl]Pyrrolidine-2-Carbonyl]Amino]-5-Guanidino-Pentanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]Hexanoyl]Pyrrolidine-2-Carbonyl]Amino]-5-Guanidino-Valeric Acid
• Molecular Formula: C₄₂H₇₈N₁₆O₁₁
• Molecular Weight: 983.18
• CAS Registry Number: 80938-76-7
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@@H](N)[C@H](O)C)CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N2[C@@H](CCC2)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)CCCCN)[C@H](O)C
• InChI: 1S/C42H78N16O11/c1-23(59)31(45)36(64)53-26(11-3-5-17-43)38(66)57-21-9-15-29(57)34(62)52-25(13-7-19-50-41(46)47)33(61)56-32(24(2)60)37(65)54-27(12-4-6-18-44)39(67)58-22-10-16-30(58)35(63)55-28(40(68)69)14-8-20-51-42(48)49/h23-32,59-60H,3-22,43-45H2,1-2H3,(H,52,62)(H,53,64)(H,54,65)(H,55,63)(H,56,61)(H,68,69)(H4,46,47,50)(H4,48,49,51)/t23-,24-,25+,26+,27+,28+,29+,30+,31+,32+/m1/s1
• InChIKey: GCQKMLBIJULQQS-YCSONJRRSA-N

Properties

• Density: 1.515g/cm³ (Cal.)