Chembl604580

Structural Information

Molecular Formula

C₁₉₅H₃₁₃N₅₁O₆₂S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)N

InChI

InChI=1S/C195H313N51O62S/c1-13-101(8)157(243-181(294)119(46-25-33-84-201)218-164(277)118(45-24-32-83-200)232-193(306)160(104(11)248)246-188(301)138(91-105-50-52-108(249)53-51-105)238-178(291)130(62-74-152(264)265)227-175(288)133(65-77-155(270)271)234-192(305)158(102(9)14-2)244-182(295)120(47-26-34-85-202)219-165(278)121(49-36-87-211-195(209)210)220-186(299)141(95-156(272)273)241-184(297)139(93-107-97-213-113-40-19-17-38-110(107)113)239-179(292)131(63-75-153(266)267)228-180(293)134(78-88-309-12)214-161(274)111(204)92-106-96-212-112-39-18-16-37-109(106)112)191(304)233-132(64-76-154(268)269)174(287)226-129(61-73-151(262)263)177(290)237-137(90-100(6)7)187(300)245-159(103(10)15-3)190(303)231-117(44-23-31-82-199)163(276)215-116(43-22-30-81-198)167(280)242-142(98-247)189(302)230-124(56-68-145(207)252)170(283)225-126(58-70-148(256)257)173(286)222-122(54-66-143(205)250)168(281)221-123(55-67-144(206)251)169(282)224-125(57-69-147(254)255)171(284)217-115(42-21-29-80-197)166(279)240-140(94-146(208)253)185(298)229-127(59-71-149(258)259)172(285)216-114(41-20-28-79-196)162(275)223-128(60-72-150(260)261)176(289)236-136(89-99(4)5)183(296)235-135(194(307)308)48-27-35-86-203/h16-19,37-40,50-53,96-97,99-104,111,114-142,157-160,212-213,247-249H,13-15,20-36,41-49,54-95,98,196-204H2,1-12H3,(H2,205,250)(H2,206,251)(H2,207,252)(H2,208,253)(H,214,274)(H,215,276)(H,216,285)(H,217,284)(H,218,277)(H,219,278)(H,220,299)(H,221,281)(H,222,286)(H,223,275)(H,224,282)(H,225,283)(H,226,287)(H,227,288)(H,228,293)(H,229,298)(H,230,302)(H,231,303)(H,232,306)(H,233,304)(H,234,305)(H,235,296)(H,236,289)(H,237,290)(H,238,291)(H,239,292)(H,240,279)(H,241,297)(H,242,280)(H,243,294)(H,244,295)(H,245,300)(H,246,301)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,307,308)(H4,209,210,211)/t101-,102-,103-,104+,111-,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-,141-,142-,157-,158-,159-,160-/m0/s1

InChIKey

NOTRIUNOPSBIHM-YUQBXYKCSA-N

Compound name

(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid

Related CIDs

• CID 16134218