Snx-482

Structural Information

Molecular Formula

C₁₉₂H₂₇₄N₅₂O₆₀S₇

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](C)NC(=O)[C@@H]4CSSC[C@H]5C(=O)N[C@H]6CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CSSC[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)N[C@H](C(=O)N4)CC7=CC=C(C=C7)O)CO)CC8=CC=CC=C8)CC(C)C)CO)CC9=CNC=N9)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C6=O)CCCNC(=N)N)CC(C)C)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)N5)CC(=O)O)CC(=O)O)CC(=O)N)C(C)C)CO)CC1=CC=CC=C1)CCSC)CC1=CC=C(C=C1)O)CCCNC(=N)N)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)CN)O

InChI

InChI=1S/C192H274N52O60S7/c1-91(2)57-114-157(270)207-79-146(257)213-135-85-306-307-86-136-183(296)237-133(83-248)179(292)242-153(95(9)10)187(300)231-124(67-141(195)252)170(283)228-126(69-148(260)261)173(286)229-127(70-149(262)263)174(287)239-138(184(297)240-139(189(302)244-55-30-42-140(244)185(298)217-112(161(274)219-114)41-29-54-202-192(198)199)89-311-308-84-134(212-145(256)78-205-155(268)96(11)209-159(272)110(39-26-27-52-193)214-171(284)128(71-150(264)265)232-186(299)152(94(7)8)241-142(253)73-194)181(294)215-111(40-28-53-201-191(196)197)160(273)223-119(63-102-43-47-106(250)48-44-102)164(277)216-113(51-56-305-14)162(275)222-117(60-99-31-18-15-19-32-99)158(271)206-76-143(254)204-77-144(255)211-136)88-310-309-87-137(238-167(280)120(64-103-45-49-107(251)50-46-103)225-177(290)131(81-246)234-165(278)118(61-100-33-20-16-21-34-100)224-163(276)115(58-92(3)4)221-176(289)130(80-245)236-169(282)123(226-182(135)295)66-105-75-200-90-208-105)180(293)210-97(12)156(269)218-122(65-104-74-203-109-38-25-24-37-108(104)109)168(281)227-125(68-147(258)259)172(285)220-116(59-93(5)6)175(288)243-154(98(13)249)188(301)230-121(62-101-35-22-17-23-36-101)166(279)235-132(82-247)178(291)233-129(190(303)304)72-151(266)267/h15-25,31-38,43-50,74-75,90-98,110-140,152-154,203,245-251H,26-30,39-42,51-73,76-89,193-194H2,1-14H3,(H2,195,252)(H,200,208)(H,204,254)(H,205,268)(H,206,271)(H,207,270)(H,209,272)(H,210,293)(H,211,255)(H,212,256)(H,213,257)(H,214,284)(H,215,294)(H,216,277)(H,217,298)(H,218,269)(H,219,274)(H,220,285)(H,221,289)(H,222,275)(H,223,273)(H,224,276)(H,225,290)(H,226,295)(H,227,281)(H,228,283)(H,229,286)(H,230,301)(H,231,300)(H,232,299)(H,233,291)(H,234,278)(H,235,279)(H,236,282)(H,237,296)(H,238,280)(H,239,287)(H,240,297)(H,241,253)(H,242,292)(H,243,288)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,303,304)(H4,196,197,201)(H4,198,199,202)/t96-,97-,98+,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,152-,153-,154-/m0/s1

InChIKey

NSUPRLHDCFNOKD-CICZDBDCSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(1R,7S,10S,13S,19R,24R,27S,30S,33S,36S,45R,48S,51S,54S,57S,60S,63R,68R,71S,74S,77S,80S,83S,86S)-24-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]propanoyl]amino]acetyl]amino]-54-(2-amino-2-oxoethyl)-36,77-dibenzyl-10,27-bis(3-carbamimidamidopropyl)-57,60-bis(carboxymethyl)-48,74,83-tris(hydroxymethyl)-30,71-bis[(4-hydroxyphenyl)methyl]-86-(1H-imidazol-4-ylmethyl)-7,80-bis(2-methylpropyl)-33-(2-methylsulfanylethyl)-3,6,9,12,18,25,28,31,34,37,40,43,46,49,52,55,58,61,70,73,76,79,82,85,88,93-hexacosaoxo-51-propan-2-yl-21,22,65,66,90,91-hexathia-2,5,8,11,17,26,29,32,35,38,41,44,47,50,53,56,59,62,69,72,75,78,81,84,87,94-hexacosazatetracyclo[43.43.4.219,63.013,17]tetranonacontane-68-carbonyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]butanedioic acid

Related CIDs

• CID 146018881