N-[N-[N-[N2-[N-(N2-L-Prolyl-L-arginyl)-L-leucyl]-L-arginyl]-L-phenylalanyl]-L-tyrosyl]-L-Serine
[CAS# 104186-26-7]

Identification

• Name: N-[N-[N-[N2-[N-(N2-L-Prolyl-L-arginyl)-L-leucyl]-L-arginyl]-L-phenylalanyl]-L-tyrosyl]-L-Serine
• Synonyms: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-Guanidino-2-[[(2S)-2-[[(2S)-5-Guanidino-2-[[(2S)-Pyrrolidine-2-Carbonyl]Amino]Pentanoyl]Amino]-4-Methyl-Pentanoyl]Amino]Pentanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Hydroxy-Propanoic Acid; (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-Guanidino-2-[[(2S)-2-[[(2S)-5-Guanidino-1-Oxo-2-[[Oxo-[(2S)-2-Pyrrolidinyl]Methyl]Amino]Pentyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-1-Oxopentyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-3-Hydroxypropanoic Acid; (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-Guanidino-2-[[(2S)-2-[[(2S)-5-Guanidino-2-(Prolylamino)Pentanoyl]Amino]-4-Methyl-Pentanoyl]Amino]Pentanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Hydroxy-Propionic Acid
• Molecular Formula: C₄₄H₆₇N₁₃O₁₀
• Molecular Weight: 938.09
• CAS Registry Number: 104186-26-7
• SMILES: [C@@H]1(NCCC1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=C(O)C=C3)C(=O)N[C@@H](CO)C(O)=O
• InChI: 1S/C44H67N13O10/c1-25(2)21-32(54-37(61)30(12-7-19-50-43(45)46)52-36(60)29-11-6-18-49-29)39(63)53-31(13-8-20-51-44(47)48)38(62)55-33(22-26-9-4-3-5-10-26)40(64)56-34(23-27-14-16-28(59)17-15-27)41(65)57-35(24-58)42(66)67/h3-5,9-10,14-17,25,29-35,49,58-59H,6-8,11-13,18-24H2,1-2H3,(H,52,60)(H,53,63)(H,54,61)(H,55,62)(H,56,64)(H,57,65)(H,66,67)(H4,45,46,50)(H4,47,48,51)/t29-,30-,31-,32-,33-,34-,35-/m0/s1
• InChIKey: ROLQTCLEUKSLGT-POFDKVPJSA-N

Properties

• Density: 1.437g/cm³ (Cal.)