N2-(N-(N2-(N-(N-(N2-(1-L-alpha-Aspartyl-L-prolyl)-L-glutaminyl)-L-tyrosyl)-L-isoleucyl)-L-glutaminyl)-L-seryl)-L-arginine
[CAS# 130007-44-2]

Identification

• Name: N2-(N-(N2-(N-(N-(N2-(1-L-alpha-Aspartyl-L-prolyl)-L-glutaminyl)-L-tyrosyl)-L-isoleucyl)-L-glutaminyl)-L-seryl)-L-arginine
• Synonyms: (2S)-2-[[(2S)-2-[[(2S)-5-Amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-5-Amino-2-[[(2S)-1-[(2S)-2-Amino-4-Hydroxy-4-Oxo-Butanoyl]Pyrrolidine-2-Carbonyl]Amino]-5-Oxo-Pentanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Methyl-Pentanoyl]Amino]-5-Oxo-Pentanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-5-Guanidino-Pentanoic Acid; (2S)-2-[[(2S)-2-[[(2S)-5-Amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-5-Amino-2-[[[(2S)-1-[(2S)-2-Amino-4-Hydroxy-1,4-Dioxobutyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-1,5-Dioxopentyl]Amino]-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-3-Methyl-1-Oxopentyl]Amino]-1,5-Dioxopentyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]-5-Guanidinopentanoic Acid; (2S)-2-[[(2S)-2-[[(2S)-5-Amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-5-Amino-2-[[(2S)-1-[(2S)-2-Amino-4-Hydroxy-4-Keto-Butanoyl]Pyrrolidine-2-Carbonyl]Amino]-5-Keto-Pentanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Methyl-Pentanoyl]Amino]-5-Keto-Pentanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-5-Guanidino-Valeric Acid
• Molecular Formula: C₄₃H₆₇N₁₃O₁₅
• Molecular Weight: 1006.08
• CAS Registry Number: 130007-44-2
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)CO)CC2=CC=C(O)C=C2
• InChI: 1S/C43H67N13O15/c1-3-21(2)34(40(68)51-26(13-15-32(46)60)36(64)54-29(20-57)38(66)52-27(42(70)71)6-4-16-49-43(47)48)55-37(65)28(18-22-8-10-23(58)11-9-22)53-35(63)25(12-14-31(45)59)50-39(67)30-7-5-17-56(30)41(69)24(44)19-33(61)62/h8-11,21,24-30,34,57-58H,3-7,12-20,44H2,1-2H3,(H2,45,59)(H2,46,60)(H,50,67)(H,51,68)(H,52,66)(H,53,63)(H,54,64)(H,55,65)(H,61,62)(H,70,71)(H4,47,48,49)/t21-,24-,25-,26-,27-,28-,29-,30-,34-/m0/s1
• InChIKey: BKTLFZFUMFKULQ-BQGUCLBMSA-N

Properties

• Density: 1.549g/cm³ (Cal.)