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AG00C1FH

206645-99-0 | Compstatin

Chemical structure of Compstatin, CAS 206645-99-0
AG00C1FH
sdsSDS
sdsCOA

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CAS Number 206645-99-0
Catalog Number AG00C1FH(AGN-PC-0QW4K7)
Chemical Name Compstatin
IUPAC Name 2-[(4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-4-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]-34-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-25-(3-amino-3-oxopropyl)-7-[3-(diaminomethylideneamino)propyl]-10,13-bis(1H-imidazol-5-ylmethyl)-19-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-28,31-di(propan-2-yl)-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacont-22-yl]acetic acid
InChI InChI=1S/C66H99N23O17S2/c1-8-32(6)50(68)63(104)86-46-27-108-107-26-45(62(103)89-53(33(7)90)54(69)95)85-56(97)39(14-11-17-74-66(70)71)80-59(100)43(20-36-24-73-29-78-36)83-58(99)42(19-35-23-72-28-77-35)79-48(92)25-76-55(96)41(18-34-22-75-38-13-10-9-12-37(34)38)82-60(101)44(21-49(93)94)84-57(98)40(15-16-47(67)91)81-64(105)51(30(2)3)88-65(106)52(31(4)5)87-61(46)102/h9-10,12-13,22-24,28-33,39-46,50-53,75,90H,8,11,14-21,25-27,68H2,1-7H3,(H2,67,91)(H2,69,95)(H,72,77)(H,73,78)(H,76,96)(H,79,92)(H,80,100)(H,81,105)(H,82,101)(H,83,99)(H,84,98)(H,85,97)(H,86,104)(H,87,102)(H,88,106)(H,89,103)(H,93,94)(H4,70,71,74)/t32-,33+,39-,40-,41-,42-,43-,44-,45-,46-,50-,51-,52-,53-/m0/s1
InChI Key RDTRHBCZFDCUPW-KWICJJCGSA-N
MDL Number MFCD09263618
Molecular Formula C66H99N23O17S2
Molecular Weight 1550.7662
SMILES O=C(N[C@H]1CC2=CNC3=C2C=CC=C3)[C@H](CC(O)=O)NC([C@]([H])(CCC(N)=O)NC([C@H](C(C)C)NC([C@H](C(C)C)NC([C@@H](NC([C@H]([C@H](CC)C)N)=O)CSSC[C@H](NC([C@@]([H])(NC([C@@H](NC([C@@]([H])(NC(CNC1=O)=O)CC4=CNC=N4)=O)CC5=CNC=N5)=O)CCCNC(N)=N)=O)C(N[C@@H]([C@@H](C)O)C(N)=O)=O)=O)=O)=O)=O
Synonyms
compstatin, COMPSTATIN, 206645-99-0, CHEMBL266963, ICVVQDWGHHRCT-NH2, GTPL9218, BDBM50241352, s8522, AKOS024457182, 2-[(4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-34-[(2S,3S)-2-amino-3-methylpentanamido]-7-(3-carbamimidamidopropyl)-4-{[(1S,2R)-1-carbamoyl-2-hydroxypropyl]carbamoyl}-25-(2-carbamoylethyl)-10,13-bis(1H-imidazol-5-ylmethyl)-19-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-28,31-bis(propan-2-yl)-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decaazacyclopentatriacontan-22-yl]acetic acid, 2-[(4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-4-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]-34-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-25-(3-amino-3-oxopropyl)-7-[3-(diaminomethylideneamino)propyl]-10,13-bis(1H-imidazol-5-ylmethyl)-19-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-28,31-di(propan-2-yl)-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacont-22-yl]acetic acid,

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