Scrambled k10-k42

Structural Information

Molecular Formula

C₁₆₈H₂₇₂N₄₈O₄₈

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC6=CN=CN6)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C168H272N48O48/c1-19-88(13)132(160(257)206-118(80-217)154(251)192-107(55-57-129(232)233)146(243)190-102(39-25-29-59-170)142(239)199-111(69-94-36-22-21-23-37-94)152(249)213-135(92(17)220)162(259)207-119(81-218)155(252)202-113(73-122(174)224)147(244)188-90(15)137(234)204-116(68-85(7)8)164(261)216-65-35-45-121(216)166(263)264)211-153(250)115(75-124(176)226)203-159(256)133(89(14)20-2)212-163(260)134(91(16)219)209-126(228)78-184-125(227)77-185-139(236)101(38-24-28-58-169)189-141(238)106(43-33-63-183-168(179)180)194-157(254)130(86(9)10)208-127(229)79-186-140(237)110(70-95-46-50-98(222)51-47-95)198-144(241)105(42-32-62-182-167(177)178)193-156(253)120-44-34-64-215(120)165(262)117(71-96-48-52-99(223)53-49-96)205-145(242)103(40-26-30-60-171)191-149(246)112(72-97-76-181-82-187-97)200-150(247)114(74-123(175)225)201-148(245)108(66-83(3)4)197-143(240)104(41-27-31-61-172)195-161(258)136(93(18)221)214-158(255)131(87(11)12)210-151(248)109(67-84(5)6)196-138(235)100(173)54-56-128(230)231/h21-23,36-37,46-53,76,82-93,100-121,130-136,217-223H,19-20,24-35,38-45,54-75,77-81,169-173H2,1-18H3,(H2,174,224)(H2,175,225)(H2,176,226)(H,181,187)(H,184,227)(H,185,236)(H,186,237)(H,188,244)(H,189,238)(H,190,243)(H,191,246)(H,192,251)(H,193,253)(H,194,254)(H,195,258)(H,196,235)(H,197,240)(H,198,241)(H,199,239)(H,200,247)(H,201,245)(H,202,252)(H,203,256)(H,204,234)(H,205,242)(H,206,257)(H,207,259)(H,208,229)(H,209,228)(H,210,248)(H,211,250)(H,212,260)(H,213,249)(H,214,255)(H,230,231)(H,232,233)(H,263,264)(H4,177,178,182)(H4,179,180,183)/t88-,89-,90-,91+,92+,93+,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,130-,131-,132-,133-,134-,135-,136-/m0/s1

InChIKey

DXLAOAPMDLPFOH-LUMFNDMPSA-N

Compound name

(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S,3R)-2-[[2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid

Related CIDs

• CID 16130210