Svn(6-45)cys7ser

Structural Information

Molecular Formula

C₁₇₁H₂₆₀N₆₀O₆₂S₄

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N2)CC3=CC=CC=C3)CO)CO)CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]4CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4)CCC(=O)N)CCCCN)CC(=O)N)CC(=O)N)CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]5CCCN5C(=O)CNC(=O)CNC(=O)[C@@H]6CCCN6C(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC7=CNC8=CC=CC=C87)NC(=O)[C@H](CO)NC(=O)[C@H](CC9=CC=C(C=C9)O)N)O

InChI

InChI=1S/C171H260N60O62S4/c1-76(134(258)201-90(28-16-46-191-171(187)188)145(269)228-133(79(4)239)165(289)226-113-75-297-294-72-110(225-146(270)95(51-80-20-6-5-7-21-80)200-127(251)63-196-139(263)104(66-232)218-156(280)107(69-235)219-157(281)108(70-236)221-161(113)285)158(282)205-91(36-39-117(175)241)137(261)194-64-128(252)227-132(78(3)238)164(288)222-109(71-237)153(277)204-88(26-14-44-189-169(183)184)142(266)208-94(25-11-13-43-173)166(290)231-49-19-31-116(231)168(292)293)198-126(250)62-195-138(262)102(59-131(256)257)214-159(283)111-73-295-296-74-112(160(284)220-106(68-234)155(279)213-100(56-122(180)246)151(275)212-98(54-120(178)244)148(272)202-87(24-10-12-42-172)141(265)206-92(144(268)224-111)37-40-118(176)242)223-143(267)89(27-15-45-190-170(185)186)203-150(274)101(57-123(181)247)215-163(287)115-30-17-47-229(115)129(253)65-193-125(249)61-197-162(286)114-29-18-48-230(114)167(291)103(58-124(182)248)216-152(276)97(53-119(177)243)209-135(259)77(2)199-140(264)93(38-41-130(254)255)207-149(273)99(55-121(179)245)211-147(271)96(52-82-60-192-86-23-9-8-22-84(82)86)210-154(278)105(67-233)217-136(260)85(174)50-81-32-34-83(240)35-33-81/h5-9,20-23,32-35,60,76-79,85,87-116,132-133,192,232-240H,10-19,24-31,36-59,61-75,172-174H2,1-4H3,(H2,175,241)(H2,176,242)(H2,177,243)(H2,178,244)(H2,179,245)(H2,180,246)(H2,181,247)(H2,182,248)(H,193,249)(H,194,261)(H,195,262)(H,196,263)(H,197,286)(H,198,250)(H,199,264)(H,200,251)(H,201,258)(H,202,272)(H,203,274)(H,204,277)(H,205,282)(H,206,265)(H,207,273)(H,208,266)(H,209,259)(H,210,278)(H,211,271)(H,212,275)(H,213,279)(H,214,283)(H,215,287)(H,216,276)(H,217,260)(H,218,280)(H,219,281)(H,220,284)(H,221,285)(H,222,288)(H,223,267)(H,224,268)(H,225,270)(H,226,289)(H,227,252)(H,228,269)(H,254,255)(H,256,257)(H,292,293)(H4,183,184,189)(H4,185,186,190)(H4,187,188,191)/t76-,77-,78+,79+,85-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,132-,133-/m0/s1

InChIKey

ZGAGSVRYXHHEHT-KNHIKTGHSA-N

Compound name

(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-5-amino-2-[[(4R,7S,13S,16S,19S,22R)-22-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(4R,7S,10S,13S,16S,19S,22R)-22-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-1-[2-[[2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-10-(4-aminobutyl)-13,16-bis(2-amino-2-oxoethyl)-7-(3-amino-3-oxopropyl)-19-(hydroxymethyl)-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricosane-4-carbonyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxybutanoyl]amino]-7-benzyl-13,16,19-tris(hydroxymethyl)-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricosane-4-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid

Related CIDs

• CID 16186175