Aiwnnmtwmewdreinnytslihslieesqnq

Structural Information

Molecular Formula

C₁₇₄H₂₅₇N₄₇O₅₆S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC7=CC=C(C=C7)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](CC8=CN=CN8)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](C)N

InChI

InChI=1S/C174H257N47O56S2/c1-18-80(9)136(216-142(245)84(13)175)168(271)209-113(62-90-72-189-98-34-27-24-31-95(90)98)153(256)205-118(67-129(181)233)158(261)206-115(64-126(178)230)155(258)197-106(53-56-279-17)150(253)220-140(85(14)225)171(274)210-112(61-89-71-188-97-33-26-23-30-94(89)97)151(254)196-105(52-55-278-16)148(251)193-101(42-48-131(235)236)146(249)203-111(60-88-70-187-96-32-25-22-29-93(88)96)152(255)208-120(69-135(243)244)160(263)191-99(35-28-54-186-174(183)184)143(246)194-104(45-51-134(241)242)149(252)217-138(82(11)20-3)170(273)212-119(68-130(182)234)159(262)207-117(66-128(180)232)157(260)202-110(59-87-36-38-92(227)39-37-87)163(266)221-141(86(15)226)172(275)215-123(76-224)166(269)201-109(58-79(7)8)162(265)219-139(83(12)21-4)169(272)211-114(63-91-73-185-77-190-91)154(257)214-122(75-223)165(268)200-108(57-78(5)6)161(264)218-137(81(10)19-2)167(270)198-103(44-50-133(239)240)144(247)192-102(43-49-132(237)238)147(250)213-121(74-222)164(267)195-100(40-46-124(176)228)145(248)204-116(65-127(179)231)156(259)199-107(173(276)277)41-47-125(177)229/h22-27,29-34,36-39,70-73,77-86,99-123,136-141,187-189,222-227H,18-21,28,35,40-69,74-76,175H2,1-17H3,(H2,176,228)(H2,177,229)(H2,178,230)(H2,179,231)(H2,180,232)(H2,181,233)(H2,182,234)(H,185,190)(H,191,263)(H,192,247)(H,193,251)(H,194,246)(H,195,267)(H,196,254)(H,197,258)(H,198,270)(H,199,259)(H,200,268)(H,201,269)(H,202,260)(H,203,249)(H,204,248)(H,205,256)(H,206,261)(H,207,262)(H,208,255)(H,209,271)(H,210,274)(H,211,272)(H,212,273)(H,213,250)(H,214,257)(H,215,275)(H,216,245)(H,217,252)(H,218,264)(H,219,265)(H,220,253)(H,221,266)(H,235,236)(H,237,238)(H,239,240)(H,241,242)(H,243,244)(H,276,277)(H4,183,184,186)/t80-,81-,82-,83-,84-,85+,86+,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,136-,137-,138-,139-,140-,141-/m0/s1

InChIKey

JEFSTUHURJDZKF-MUDYZCOQSA-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,3S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoyl]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 71597937