AG01ENKJ

1416983-77-1 | MSG 606

Chemical structure of MSG 606, CAS 1416983-77-1
AG01ENKJ
sdsSDS
sdsCOA

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CAS Number 1416983-77-1
Catalog Number AG01ENKJ(AGN-PC-3H45O8)
Chemical Name MSG 606
IUPAC Name (3S)-4-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-[[(3R,6S,9S,12S,15S)-12-benzyl-9-[3-(diaminomethylideneamino)propyl]-15-(1H-imidazol-5-ylmethyl)-6-(1H-indol-3-ylmethyl)-5,8,11,14,17,20-hexaoxo-1-thia-4,7,10,13,16,19-hexazacyclotricosane-3-carbonyl]amino]-4-oxobutanoic acid
InChI InChI=1S/C62H82N20O13S/c63-49(83)31-73-53(88)43(24-35-12-3-1-4-13-35)78-54(89)41(18-9-21-69-61(64)65)77-59(94)47(28-52(86)87)81-60(95)48-33-96-23-11-20-50(84)72-32-51(85)75-46(27-38-30-68-34-74-38)58(93)79-44(25-36-14-5-2-6-15-36)56(91)76-42(19-10-22-70-62(66)67)55(90)80-45(57(92)82-48)26-37-29-71-40-17-8-7-16-39(37)40/h1-8,12-17,29-30,34,41-48,71H,9-11,18-28,31-33H2,(H2,63,83)(H,68,74)(H,72,84)(H,73,88)(H,75,85)(H,76,91)(H,77,94)(H,78,89)(H,79,93)(H,80,90)(H,81,95)(H,82,92)(H,86,87)(H4,64,65,69)(H4,66,67,70)/t41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
InChI Key QJBNFEXQHBDMQM-VTWSTLNFSA-N
MDL Number MFCD30474719
Molecular Formula C62H82N20O13S
Molecular Weight 1347.5057
SMILES C(C=1C=2C(NC1)=CC=CC2)[C@H]3NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CC4=CC=CC=C4)NC(=O)[C@H](CC5=CN=CN5)NC(=O)CNC(=O)CCCSC[C@@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC6=CC=CC=C6)C(NCC(N)=O)=O)=O)CCCNC(=N)N)=O)CC(O)=O)=O)NC3=O
Synonyms
1416983-77-1, AKOS030210970, QJBNFEXQHBDMQM-VTWSTLNFSA-N,

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CERTIFICATE OF ANALYSIS
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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