V3 mn

Structural Information

Molecular Formula

C₁₆₉H₂₇₅N₆₁O₄₆S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](CCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCNC(=N)N)C(=O)N[C@@H](CCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC5=CN=CN5)C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC6=CC=C(C=C6)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)N

InChI

InChI=1S/C169H275N61O46S/c1-17-79(6)125(222-151(262)111(66-94-72-190-78-200-94)219-158(269)127(81(8)19-3)223-145(256)106(52-60-195-169(187)188)209-139(250)98(34-25-28-53-170)204-142(253)103(49-57-192-166(181)182)207-140(251)99(35-26-29-54-171)205-149(260)112(68-119(176)239)217-147(258)108(63-91-38-42-95(235)43-39-91)218-161(272)131(87(14)232)227-153(264)113(69-120(177)240)214-136(247)97(173)67-118(175)238)156(267)198-75-124(244)230-61-31-37-116(230)154(265)196-73-122(242)203-102(48-56-191-165(179)180)138(249)202-84(11)134(245)212-107(62-90-32-23-22-24-33-90)146(257)215-109(64-92-40-44-96(236)45-41-92)150(261)228-133(89(16)234)163(274)229-132(88(15)233)160(271)210-100(36-27-30-55-172)141(252)216-114(70-121(178)241)152(263)224-129(83(10)21-5)159(270)225-126(80(7)18-2)155(266)197-74-123(243)221-130(86(13)231)162(273)226-128(82(9)20-4)157(268)211-105(51-59-194-168(185)186)144(255)208-104(50-58-193-167(183)184)143(254)206-101(46-47-117(174)237)137(248)201-85(12)135(246)213-110(65-93-71-189-77-199-93)148(259)220-115(76-277)164(275)276/h22-24,32-33,38-45,71-72,77-89,97-116,125-133,231-236,277H,17-21,25-31,34-37,46-70,73-76,170-173H2,1-16H3,(H2,174,237)(H2,175,238)(H2,176,239)(H2,177,240)(H2,178,241)(H,189,199)(H,190,200)(H,196,265)(H,197,266)(H,198,267)(H,201,248)(H,202,249)(H,203,242)(H,204,253)(H,205,260)(H,206,254)(H,207,251)(H,208,255)(H,209,250)(H,210,271)(H,211,268)(H,212,245)(H,213,246)(H,214,247)(H,215,257)(H,216,252)(H,217,258)(H,218,272)(H,219,269)(H,220,259)(H,221,243)(H,222,262)(H,223,256)(H,224,263)(H,225,270)(H,226,273)(H,227,264)(H,228,261)(H,229,274)(H,275,276)(H4,179,180,191)(H4,181,182,192)(H4,183,184,193)(H4,185,186,194)(H4,187,188,195)/t79-,80-,81-,82-,83-,84-,85-,86+,87+,88+,89+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,125-,126-,127-,128-,129-,130-,131-,132-,133-/m0/s1

InChIKey

PCRLJWJVKRYWFY-PJBLOPFDSA-N

Compound name

(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]-4-carbamimidamidobutanoyl]amino]hexanoyl]amino]-4-carbamimidamidobutanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-4-carbamimidamidobutanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-4-carbamimidamidobutanoyl]amino]-4-carbamimidamidobutanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanylpropanoic acid

Related CIDs

• CID 16186425