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AG00BXJD

412938-67-1 | Neuropeptide S (human)

Chemical structure of Neuropeptide S (human), CAS 412938-67-1
AG00BXJD
sdsSDS
sdsCOA
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CAS Number 412938-67-1
Catalog Number AG00BXJD(AGN-PC-0RQAIK)
Chemical Name Neuropeptide S (human)
IUPAC Name (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-hydroxypropanoic acid
InChI InChI=1S/C93H155N31O28S/c1-48(2)72(122-70(133)43-106-77(137)64(41-68(99)131)119-80(140)59(29-20-37-105-93(102)103)115-85(145)62(117-76(136)54(97)45-125)39-52-21-9-7-10-22-52)88(148)107-44-71(134)123-73(50(4)128)89(149)108-42-69(132)110-61(32-38-153-6)83(143)112-56(26-14-17-34-95)79(139)113-57(27-15-18-35-96)84(144)124-74(51(5)129)90(150)120-65(46-126)87(147)118-63(40-53-23-11-8-12-24-53)86(146)116-60(30-31-67(98)130)82(142)114-58(28-19-36-104-92(100)101)78(138)109-49(3)75(135)111-55(25-13-16-33-94)81(141)121-66(47-127)91(151)152/h7-12,21-24,48-51,54-66,72-74,125-129H,13-20,25-47,94-97H2,1-6H3,(H2,98,130)(H2,99,131)(H,106,137)(H,107,148)(H,108,149)(H,109,138)(H,110,132)(H,111,135)(H,112,143)(H,113,139)(H,114,142)(H,115,145)(H,116,146)(H,117,136)(H,118,147)(H,119,140)(H,120,150)(H,121,141)(H,122,133)(H,123,134)(H,124,144)(H,151,152)(H4,100,101,104)(H4,102,103,105)/t49-,50+,51+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,72-,73-,74-/m0/s1
InChI Key ZRCUKBVXFDZBKP-XJEBPGRNSA-N
MDL Number MFCD02663207
Molecular Formula C93H155N31O28S
Molecular Weight 2187.4817
SMILES [C@@H](NC(=O)[C@H](CO)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@H]([C@H](O)C)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)CC1C=CC=CC=1)(C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)O)CC1C=CC=CC=1
Synonyms
Neuropeptide S (human), CHEMBL230333, 412938-67-1, neuropepetide S, BDBM50412707, AKOS027470136, Neuropeptide S,

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    CERTIFICATE OF ANALYSIS
    Chemical Name: Batch Number:
    Chemical Structure: CAS Registry No:
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    Manufacture Date:
    Storage Temperature:
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    Test: Result:
    Conclusion: The above product meets the specifications of Angene.
    Analyst:Chase
    Date:
    Reviewed by:Jessie
    Date:
    Angene International Limited