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XMP-629

XMP-629, an endotoxin inhibitor, is used potentially for the treatment of impetigo and acne rosacea.

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CAT#	R1974
CAS	316805-65-9
Chemical Name	(2R)-2-[[(2R)-6-amino-2-[[(2R)-2-[[(2R)-5-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2,6-diaminohexanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-naphthalen-1-ylpropanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-naphthalen-1-ylpropanoic acid
M.F/Formula	C67H93N15O11
M.W/Mr.	1284.55

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Storage	Please store the product under the recommended conditions in the Certificate of Analysis.
InChI	InChI=1S/C67H93N15O11/c1-40(2)36-53(79-59(85)49(70)28-11-13-33-68)63(89)80-54(37-42-18-5-4-6-19-42)64(90)77-51(30-17-35-74-67(72)73)61(87)81-55(38-45-24-15-22-43-20-7-9-26-47(43)45)65(91)78-52(31-32-57(71)83)60(86)75-41(3)58(84)76-50(29-12-14-34-69)62(88)82-56(66(92)93)39-46-25-16-23-44-21-8-10-27-48(44)46/h4-10,15-16,18-27,40-41,49-56H,11-14,17,28-39,68-70H2,1-3H3,(H2,71,83)(H,75,86)(H,76,84)(H,77,90)(H,78,91)(H,79,85)(H,80,89)(H,81,87)(H,82,88)(H,92,93)(H4,72,73,74)/t41-,49-,50-,51-,52-,53-,54-,55-,56-/m1/s1
InChI Key	YSPFONMJJGFGKC-KGEOJHTKSA-N
Canonical SMILES	CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)NC(CCC(=O)N)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CC4=CC=CC5=CC=CC=C54)C(=O)O)NC(=O)C(CCCCN)N
Isomeric SMILES	C[C@H](C(=O)N[C@H](CCCCN)C(=O)N[C@H](CC1=CC=CC2=CC=CC=C21)C(=O)O)NC(=O)[C@@H](CCC(=O)N)NC(=O)[C@@H](CC3=CC=CC4=CC=CC=C43)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CC5=CC=CC=C5)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CCCCN)N