Thymopoietin pentapeptide-stilbene isothiocyanate
[CAS# 107878-40-0]

Identification

• Name: Thymopoietin pentapeptide-stilbene isothiocyanate
• Synonyms: Sodium (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[4-[(E)-2-(4-Acetamido-2-Sulfo-Phenyl)Vinyl]-3-Sulfo-Phenyl]Carbamothioylamino]-5-Guanidino-Pentanoyl]Amino]-6-Amino-Hexanoyl]Amino]-4-Hydroxy-4-Oxo-Butanoyl]Amino]-3-Methyl-Butanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoate; Sodium (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[[[4-[(E)-2-(4-Acetamido-2-Sulfophenyl)Vinyl]-3-Sulfophenyl]Amino]-Thioxomethyl]Amino]-5-Guanidino-1-Oxopentyl]Amino]-6-Amino-1-Oxohexyl]Amino]-4-Hydroxy-1,4-Dioxobutyl]Amino]-3-Methyl-1-Oxobutyl]Amino]-3-(4-Hydroxyphenyl)Propanoate; Sodium (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[4-[(E)-2-(4-Acetamido-2-Sulfo-Phenyl)Vinyl]-3-Sulfo-Phenyl]Thiocarbamoylamino]-5-Guanidino-Pentanoyl]Amino]-6-Amino-Hexanoyl]Amino]-4-Hydroxy-4-Keto-Butanoyl]Amino]-3-Methyl-Butanoyl]Amino]-3-(4-Hydroxyphenyl)Propionate
• Molecular Formula: C₄₇H₆₂N₁₁NaO₁₆S₃
• Molecular Weight: 1156.24
• CAS Registry Number: 107878-40-0
• SMILES: [C@H](NC(=O)[C@@H](NC(=S)NC1=CC(=C(C=C1)\C=C\C2=C([S](O)(=O)=O)C=C(NC(=O)C)C=C2)[S](O)(=O)=O)CCCN=C(N)N)(CCCCN)C(=O)N[C@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC3=CC=C(O)C=C3)C([O-])=O)CC(O)=O.[Na+]
• InChI: 1S/C47H63N11O16S3.Na/c1-25(2)40(44(66)56-36(45(67)68)21-27-9-17-32(60)18-10-27)58-43(65)35(24-39(61)62)55-41(63)33(7-4-5-19-48)54-42(64)34(8-6-20-51-46(49)50)57-47(75)53-31-16-14-29(38(23-31)77(72,73)74)12-11-28-13-15-30(52-26(3)59)22-37(28)76(69,70)71;/h9-18,22-23,25,33-36,40,60H,4-8,19-21,24,48H2,1-3H3,(H,52,59)(H,54,64)(H,55,63)(H,56,66)(H,58,65)(H,61,62)(H,67,68)(H4,49,50,51)(H2,53,57,75)(H,69,70,71)(H,72,73,74);/q;+1/p-1/b12-11+;/t33-,34-,35-,36-,40-;/m0./s1
• InChIKey: HHQLLWSSNCJXBL-SPUIKNHMSA-M