Adipotide

Molecular Formula

C111H206N36O28S2

Molecular Weight

2557.2 g/mol

Monoisotopic Mass

2555.5243724 g/mol

Complexity

5220

XLogP

-11.4

Heavy Atom Count

177

Hydrogen Bond Donor Count

40

Hydrogen Bond Acceptor Count

40

Rotatable Bond Count

98

Physical Appearance

Fine White Lyophilized Powder

Stability

Store cold, keep refrigerated. Do NOT freeze.

PubChem LCSS

PubMed LCSS

CID

163360068

CAS

859216-15-2

InChI

InChI=1S/C111H206N36O28S2/c1-60(2)49-79(142-99(163)71(32-15-23-41-113)133-87(150)56-125-86(149)55-127-97(161)84(59-177)147-109(173)83(53-89(152)153)146-103(167)76(36-19-27-45-117)138-90(154)64(9)128-98(162)72(39-30-48-123-111(121)122)134-88(151)57-124-85(148)54-126-96(160)70(31-14-22-40-112)139-95(159)69(120)58-176)105(169)129-66(11)92(156)136-74(34-17-25-43-115)101(165)143-80(50-61(3)4)106(170)130-65(10)91(155)135-73(33-16-24-42-114)100(164)140-77(37-20-28-46-118)104(168)145-82(52-63(7)8)107(171)131-67(12)93(157)137-75(35-18-26-44-116)102(166)144-81(51-62(5)6)108(172)132-68(13)94(158)141-78(110(174)175)38-21-29-47-119/h60-84,176-177H,14-59,112-120H2,1-13H3,(H,124,148)(H,125,149)(H,126,160)(H,127,161)(H,128,162)(H,129,169)(H,130,170)(H,131,171)(H,132,172)(H,133,150)(H,134,151)(H,135,155)(H,136,156)(H,137,157)(H,138,154)(H,139,159)(H,140,164)(H,141,158)(H,142,163)(H,143,165)(H,144,166)(H,145,168)(H,146,167)(H,147,173)(H,152,153)(H,174,175)(H4,121,122,123)/t64-,65+,66+,67+,68+,69-,70-,71+,72-,73+,74+,75+,76-,77+,78+,79+,80+,81+,82+,83-,84-/m0/s1

InChIKey

GZESIPHLGJDZRG-VCWDIOOSSA-N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)N[C@H](CCCCN)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)N

IUPAC Name

L-cysteinyl-L-lysyl-glycyl-glycyl-L-arginyl-L-alanyl-L-lysyl-L-alpha-aspartyl-L-cysteinyl-glycyl-glycyl-D-lysyl-D-leucyl-D-alanyl-D-lysyl-D-leucyl-D-alanyl-D-lysyl-D-lysyl-D-leucyl-D-alanyl-D-lysyl-D-leucyl-D-alanyl-D-lysine