Qawnnmtwmewdreinnytslihslieesqnq

Structural Information

Molecular Formula

C₁₇₃H₂₅₄N₄₈O₅₇S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC7=CNC8=CC=CC=C87)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)N

InChI

InChI=1S/C173H254N48O57S2/c1-16-79(8)136(167(272)199-102(42-49-133(240)241)144(249)193-101(41-48-132(238)239)147(252)214-120(73-222)164(269)196-99(38-45-124(176)229)145(250)206-115(64-127(179)232)156(261)200-106(172(277)278)39-46-125(177)230)218-161(266)107(56-77(4)5)202-165(270)121(74-223)215-154(259)113(62-89-72-185-76-190-89)212-168(273)138(81(10)18-3)219-162(267)108(57-78(6)7)203-166(271)122(75-224)216-171(276)140(84(13)226)221-163(268)109(58-85-33-35-90(227)36-34-85)204-157(262)116(65-128(180)233)209-159(264)118(67-130(182)235)213-169(274)137(80(9)17-2)217-149(254)103(43-50-134(242)243)195-143(248)98(32-25-53-186-173(183)184)192-160(265)119(68-135(244)245)210-153(258)111(60-87-70-188-96-30-23-20-27-92(87)96)205-146(251)100(40-47-131(236)237)194-148(253)104(51-54-279-14)197-151(256)112(61-88-71-189-97-31-24-21-28-93(88)97)211-170(275)139(83(12)225)220-150(255)105(52-55-280-15)198-155(260)114(63-126(178)231)208-158(263)117(66-129(181)234)207-152(257)110(59-86-69-187-95-29-22-19-26-91(86)95)201-141(246)82(11)191-142(247)94(174)37-44-123(175)228/h19-24,26-31,33-36,69-72,76-84,94,98-122,136-140,187-189,222-227H,16-18,25,32,37-68,73-75,174H2,1-15H3,(H2,175,228)(H2,176,229)(H2,177,230)(H2,178,231)(H2,179,232)(H2,180,233)(H2,181,234)(H2,182,235)(H,185,190)(H,191,247)(H,192,265)(H,193,249)(H,194,253)(H,195,248)(H,196,269)(H,197,256)(H,198,260)(H,199,272)(H,200,261)(H,201,246)(H,202,270)(H,203,271)(H,204,262)(H,205,251)(H,206,250)(H,207,257)(H,208,263)(H,209,264)(H,210,258)(H,211,275)(H,212,273)(H,213,274)(H,214,252)(H,215,259)(H,216,276)(H,217,254)(H,218,266)(H,219,267)(H,220,255)(H,221,268)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H,244,245)(H,277,278)(H4,183,184,186)/t79-,80-,81-,82-,83+,84+,94-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,136-,137-,138-,139-,140-/m0/s1

InChIKey

BCNNGNNQHDRPLO-MDEDSFCQSA-N

Compound name

(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 71597620