Svn(3-45)cys7ser

Structural Information

Molecular Formula

C₁₈₂H₂₇₇N₆₃O₆₆S₄

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)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]1CCCN1C(=O)CN)O

InChI

InChI=1S/C182H277N63O66S4/c1-81(143(274)212-95(30-17-49-202-182(198)199)153(284)240-141(84(4)253)176(307)238-119-80-315-312-77-116(237-154(285)100(54-86-22-7-6-8-23-86)211-134(266)68-207-147(278)110(71-246)229-165(296)113(74-249)231-166(297)114(75-250)233-170(119)301)167(298)216-96(39-42-124(186)256)145(276)205-69-135(267)239-140(83(3)252)174(305)234-115(76-251)162(293)215-93(28-15-47-200-180(194)195)150(281)219-99(27-12-14-46-184)177(308)245-53-21-34-123(245)179(310)311)209-133(265)67-206-146(277)108(63-139(272)273)225-168(299)117-78-313-314-79-118(169(300)232-112(73-248)164(295)224-106(60-129(191)261)160(291)223-104(58-127(189)259)157(288)213-92(26-11-13-45-183)149(280)217-97(152(283)236-117)40-43-125(187)257)235-151(282)94(29-16-48-201-181(196)197)214-159(290)107(61-130(192)262)226-172(303)121-32-19-51-243(121)137(269)70-204-132(264)66-208-171(302)120-31-20-52-244(120)178(309)109(62-131(193)263)228-161(292)103(57-126(188)258)220-144(275)82(2)210-148(279)98(41-44-138(270)271)218-158(289)105(59-128(190)260)222-156(287)102(56-88-65-203-91-25-10-9-24-90(88)91)221-163(294)111(72-247)230-155(286)101(55-87-35-37-89(255)38-36-87)227-175(306)142(85(5)254)241-173(304)122-33-18-50-242(122)136(268)64-185/h6-10,22-25,35-38,65,81-85,92-123,140-142,203,246-255H,11-21,26-34,39-64,66-80,183-185H2,1-5H3,(H2,186,256)(H2,187,257)(H2,188,258)(H2,189,259)(H2,190,260)(H2,191,261)(H2,192,262)(H2,193,263)(H,204,264)(H,205,276)(H,206,277)(H,207,278)(H,208,302)(H,209,265)(H,210,279)(H,211,266)(H,212,274)(H,213,288)(H,214,290)(H,215,293)(H,216,298)(H,217,280)(H,218,289)(H,219,281)(H,220,275)(H,221,294)(H,222,287)(H,223,291)(H,224,295)(H,225,299)(H,226,303)(H,227,306)(H,228,292)(H,229,296)(H,230,286)(H,231,297)(H,232,300)(H,233,301)(H,234,305)(H,235,282)(H,236,283)(H,237,285)(H,238,307)(H,239,267)(H,240,284)(H,241,304)(H,270,271)(H,272,273)(H,310,311)(H4,194,195,200)(H4,196,197,201)(H4,198,199,202)/t81-,82-,83+,84+,85+,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-,117-,118-,119-,120-,121-,122-,123-,140-,141-,142-/m0/s1

InChIKey

LICVDCCELQLBLR-ZLIFKJCVSA-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-[[(2S,3R)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]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 16186174