(2s)-2-[[(2s)-2-[[(2r)-2-[[(2s)-1-[(2r)-2-[[(2r)-6-amino-2-[[(2s)-6-amino-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2r)-2-[[(2s,3r)-2-amino-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-[(3s)-3h-indol-3-yl]propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-[5-[2-[[1-[2-[[6-amino-2-[[6-amino-2-[[2-[[2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(3h-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-[[1-[(1-carboxy-2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]sulfanyl-3-[4-[2-[2-[2-[2-bromo-3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methyl-3-oxopropyl]-5-ethoxy-2,4,4-trimethyl-5-oxopentanoyl]oxyethoxy]ethylcarbamoyl]benzoyl]pentyl]sulfanylpropanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoic acid

Structural Information

Molecular Formula

C₁₇₂H₂₈₄BrN₃₇O₄₅S₂

SMILES

CC[C@@H](C)[C@@H](C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C[C@@H]1C=NC2=CC=CC=C12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CSCCC(CCSCC(C(=O)NC(C(C)C)C(=O)NC(CO)C(=O)O)NC(=O)C4CCCN4C(=O)C(C(C)C)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CC5C=NC6=CC=CC=C56)NC(=O)C(CCCNC(=N)N)NC(=O)C(C(C)C)NC(=O)C(C(C)CC)N)C(=O)C7=CC=C(C=C7)C(=O)NCCOCCOC(=O)C(C)(CC(C)(C)C(=O)OCC)CC(C)(C(=O)OCCOCCOCCOCCOCCOCCOC)Br)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)O)N

InChI

InChI=1S/C172H284BrN37O45S2/c1-23-104(16)131(178)155(231)205-135(100(8)9)157(233)193-119(50-38-64-185-168(180)181)143(219)195-121(86-109-88-187-113-44-28-26-42-111(109)113)147(223)197-123(90-211)149(225)191-115(46-30-34-60-174)141(217)189-117(48-32-36-62-176)145(221)207-137(102(12)13)161(237)209-67-40-52-129(209)153(229)201-127(151(227)203-133(98(4)5)159(235)199-125(92-213)163(239)240)94-256-84-58-107(139(215)106-54-56-108(57-55-106)140(216)184-66-69-247-80-82-254-166(244)171(20,96-170(18,19)165(243)253-25-3)97-172(21,173)167(245)255-83-81-252-79-78-251-77-76-250-75-74-249-73-72-248-71-70-246-22)59-85-257-95-128(152(228)204-134(99(6)7)160(236)200-126(93-214)164(241)242)202-154(230)130-53-41-68-210(130)162(238)138(103(14)15)208-146(222)118(49-33-37-63-177)190-142(218)116(47-31-35-61-175)192-150(226)124(91-212)198-148(224)122(87-110-89-188-114-45-29-27-43-112(110)114)196-144(220)120(51-39-65-186-169(182)183)194-158(234)136(101(10)11)206-156(232)132(179)105(17)24-2/h26-29,42-45,54-57,88-89,98-105,107,109-110,115-138,211-214H,23-25,30-41,46-53,58-87,90-97,174-179H2,1-22H3,(H,184,216)(H,189,217)(H,190,218)(H,191,225)(H,192,226)(H,193,233)(H,194,234)(H,195,219)(H,196,220)(H,197,223)(H,198,224)(H,199,235)(H,200,236)(H,201,229)(H,202,230)(H,203,227)(H,204,228)(H,205,231)(H,206,232)(H,207,221)(H,208,222)(H,239,240)(H,241,242)(H4,180,181,185)(H4,182,183,186)/t104-,105?,107?,109-,110?,115+,116?,117-,118?,119+,120?,121+,122?,123+,124?,125+,126?,127+,128?,129+,130?,131+,132?,133+,134?,135-,136?,137-,138?,171?,172?/m1/s1

InChIKey

DJBNFEGFKKYATG-CFCCHSHXSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-1-[(2R)-2-[[(2R)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-amino-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-[(3S)-3H-indol-3-yl]propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-[5-[2-[[1-[2-[[6-amino-2-[[6-amino-2-[[2-[[2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(3H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-[[1-[(1-carboxy-2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]sulfanyl-3-[4-[2-[2-[2-[2-bromo-3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methyl-3-oxopropyl]-5-ethoxy-2,4,4-trimethyl-5-oxopentanoyl]oxyethoxy]ethylcarbamoyl]benzoyl]pentyl]sulfanylpropanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoic acid

Related CIDs

• CID 129908846