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AG00D9PS

500170-27-4 | (S)-1-((4R,7S,10S,13S,16S)-7-(2-Amino-2-oxoethyl)-13-benzyl-10-(cyclohexylmethyl)-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)-N-((S)-1-((2-amino-2-oxoethyl)amino)-5-guanidino-1-oxopentan-2-yl)pyrrolidine-2-carboxamide

Chemical structure of (S)-1-((4R,7S,10S,13S,16S)-7-(2-Amino-2-oxoethyl)-13-benzyl-10-(cyclohexylmethyl)-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)-N-((S)-1-((2-amino-2-oxoethyl)amino)-5-guanidino-1-oxopentan-2-yl)pyrrolidine-2-carboxamide, CAS 500170-27-4
AG00D9PS
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CAS Number 500170-27-4
Catalog Number AG00D9PS(AGN-PC-0S5NZQ)
Chemical Name (S)-1-((4R,7S,10S,13S,16S)-7-(2-Amino-2-oxoethyl)-13-benzyl-10-(cyclohexylmethyl)-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)-N-((S)-1-((2-amino-2-oxoethyl)amino)-5-guanidino-1-oxopentan-2-yl)pyrrolidine-2-carboxamide
IUPAC Name (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-13-benzyl-10-(cyclohexylmethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
InChI InChI=1S/C50H71N13O11S2/c51-40(65)26-37-47(72)62-38(49(74)63-21-8-14-39(63)48(73)58-33(13-7-20-55-50(53)54)43(68)56-27-41(52)66)28-76-75-22-19-42(67)57-34(25-31-15-17-32(64)18-16-31)44(69)59-35(23-29-9-3-1-4-10-29)45(70)60-36(46(71)61-37)24-30-11-5-2-6-12-30/h1,3-4,9-10,15-18,30,33-39,64H,2,5-8,11-14,19-28H2,(H2,51,65)(H2,52,66)(H,56,68)(H,57,67)(H,58,73)(H,59,69)(H,60,70)(H,61,71)(H,62,72)(H4,53,54,55)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
InChI Key ZKYCVZNKBXGNEK-ZTYVOHGWSA-N
MDL Number MFCD08458541
Molecular Formula C50H71N13O11S2
Molecular Weight 1094.3092
SMILES C(=O)(N1[C@H](C(N[C@@H](CCCNC(=N)N)C(NCC(N)=O)=O)=O)CCC1)[C@H]2NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC3CCCCC3)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC5=CC=C(O)C=C5)NC(=O)CCSSC2
Synonyms
d[Cha4]AVP, CHEMBL265858, 500170-27-4, BDBM50205312, AKOS024457445, (Deamino-Cys1,beta-cyclohexyl-Ala4,Arg8)-Vasopressin, D09RIE, (Deamino-Cys1,b-cyclohexyl-Ala4,Arg8)-Vasopressin,

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    CERTIFICATE OF ANALYSIS
    Chemical Name: Batch Number:
    Chemical Structure: CAS Registry No:
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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