Schembl29553699

Structural Information

Molecular Formula

C₂₀₃H₃₄₂N₆₀O₅₈S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)C

InChI

InChI=1S/C203H342N60O58S/c1-30-105(22)160(197(318)244-131(64-72-153(279)280)179(300)232-118(46-33-37-74-204)171(292)251-139(88-112-53-55-114(268)56-54-112)188(309)249-134(83-96(4)5)184(305)234-119(47-34-38-75-205)172(293)253-142(91-154(281)282)190(311)230-117(164(215)285)57-65-144(208)269)261-166(287)107(24)228-198(319)162(109(26)265)263-196(317)159(104(20)21)257-182(303)124(52-43-80-224-203(220)221)231-165(286)106(23)227-168(289)126(59-67-146(210)271)240-185(306)135(84-97(6)7)250-189(310)141(90-150(214)275)252-173(294)121(49-36-40-77-207)243-199(320)161(108(25)264)256-151(276)94-226-167(288)140(89-113-93-225-116-45-32-31-44-115(113)116)255-194(315)157(102(16)17)260-200(321)163(110(27)266)262-191(312)138(87-100(12)13)247-174(295)123(51-42-79-223-202(218)219)235-183(304)133(82-95(2)3)246-181(302)132(73-81-322-29)241-178(299)130(63-71-152(277)278)239-177(298)128(61-69-148(212)273)238-176(297)127(60-68-147(211)272)236-170(291)122(50-41-78-222-201(216)217)233-169(290)120(48-35-39-76-206)242-193(314)156(101(14)15)259-195(316)158(103(18)19)258-192(313)143(92-155(283)284)254-187(308)137(86-99(10)11)248-186(307)136(85-98(8)9)245-180(301)129(62-70-149(213)274)237-175(296)125(229-111(28)267)58-66-145(209)270/h31-32,44-45,53-56,93,95-110,117-143,156-163,225,264-266,268H,30,33-43,46-52,57-92,94,204-207H2,1-29H3,(H2,208,269)(H2,209,270)(H2,210,271)(H2,211,272)(H2,212,273)(H2,213,274)(H2,214,275)(H2,215,285)(H,226,288)(H,227,289)(H,228,319)(H,229,267)(H,230,311)(H,231,286)(H,232,300)(H,233,290)(H,234,305)(H,235,304)(H,236,291)(H,237,296)(H,238,297)(H,239,298)(H,240,306)(H,241,299)(H,242,314)(H,243,320)(H,244,318)(H,245,301)(H,246,302)(H,247,295)(H,248,307)(H,249,309)(H,250,310)(H,251,292)(H,252,294)(H,253,293)(H,254,308)(H,255,315)(H,256,276)(H,257,303)(H,258,313)(H,259,316)(H,260,321)(H,261,287)(H,262,312)(H,263,317)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H4,216,217,222)(H4,218,219,223)(H4,220,221,224)/t105-,106-,107-,108+,109+,110+,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,156-,157-,158-,159-,160-,161-,162-,163-/m0/s1

InChIKey

VOMLJPQMGIPAOA-SVYKPCBISA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-amino-5-oxopentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-6-aminohexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3R)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-3-carboxy-1-[[(2S)-1,5-diamino-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16131785