Kgatyityvnflnelrvktkpegnshgipslrk

Structural Information

Molecular Formula

C₁₆₈H₂₇₂N₄₈O₄₈

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC4=CN=CN4)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC6=CC=C(C=C6)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)N

InChI

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

XSTVIGJZVNCJKN-LUMFNDMPSA-N

Compound name

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

Related CIDs

• CID 16130220