Lusupultide

Structural Information

Molecular Formula

C₁₈₂H₃₁₀N₄₀O₃₅

SMILES

CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@@H]5CCCN5C(=O)[C@H]([C@@H](C)CC)NC(=O)CN

InChI

InChI=1S/C182H310N40O35/c1-48-109(42)146(165(240)190-89-134(225)193-129(181(256)257)82-97(18)19)217-159(234)123(79-94(12)13)199-155(230)120(76-91(6)7)196-151(226)114(47)192-133(224)88-189-164(239)135(98(20)21)207-178(253)149(112(45)51-4)220-175(250)145(108(40)41)214-172(247)142(105(34)35)213-174(249)144(107(38)39)216-177(252)148(111(44)50-3)219-161(236)125(81-96(16)17)202-167(242)137(100(24)25)208-168(243)138(101(26)27)209-169(244)139(102(28)29)210-170(245)140(103(30)31)211-171(246)141(104(32)33)212-173(248)143(106(36)37)215-176(251)147(110(43)49-2)218-160(235)124(80-95(14)15)200-156(231)122(78-93(10)11)197-153(228)119(69-61-73-188-182(185)186)194-152(227)118(68-59-60-72-183)195-154(229)121(77-92(8)9)198-158(233)127(85-117-87-187-90-191-117)203-166(241)136(99(22)23)206-163(238)131-71-62-74-221(131)179(254)128(84-116-66-57-54-58-67-116)204-157(232)126(83-115-64-55-53-56-65-115)201-162(237)130-70-63-75-222(130)180(255)150(113(46)52-5)205-132(223)86-184/h53-58,64-67,87,90-114,118-131,135-150H,48-52,59-63,68-86,88-89,183-184H2,1-47H3,(H,187,191)(H,189,239)(H,190,240)(H,192,224)(H,193,225)(H,194,227)(H,195,229)(H,196,226)(H,197,228)(H,198,233)(H,199,230)(H,200,231)(H,201,237)(H,202,242)(H,203,241)(H,204,232)(H,205,223)(H,206,238)(H,207,253)(H,208,243)(H,209,244)(H,210,245)(H,211,246)(H,212,248)(H,213,249)(H,214,247)(H,215,251)(H,216,252)(H,217,234)(H,218,235)(H,219,236)(H,220,250)(H,256,257)(H4,185,186,188)/t109-,110-,111-,112-,113-,114-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-/m0/s1

InChIKey

GUKVIRCHWVCSIZ-ROKJYLDNSA-N

Compound name

(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 71454399