Twmewdreinnytslihslieesqnqqekneqelleld

Structural Information

Molecular Formula

C₁₉₇H₃₀₁N₅₃O₆₉S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC2=CNC=N2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)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](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)N

InChI

InChI=1S/C197H301N53O69S/c1-20-93(14)156(192(314)229-119(49-60-152(274)275)168(290)223-118(48-59-151(272)273)173(295)244-136(84-251)189(311)228-113(43-54-142(203)259)169(291)238-131(76-144(205)261)182(304)226-112(42-53-141(202)258)166(288)220-111(41-52-140(201)257)165(287)221-114(44-55-147(264)265)167(289)218-108(34-27-28-63-198)163(285)237-130(75-143(204)260)176(298)215-96(17)160(282)216-110(40-51-139(200)256)164(286)222-115(45-56-148(266)267)170(292)230-123(67-89(6)7)178(300)232-122(66-88(4)5)177(299)227-117(47-58-150(270)271)171(293)231-124(68-90(8)9)179(301)243-135(196(318)319)80-155(280)281)248-186(308)125(69-91(10)11)233-190(312)137(85-252)245-181(303)129(74-101-83-210-87-214-101)241-193(315)158(95(16)22-3)249-187(309)126(70-92(12)13)234-191(313)138(86-253)246-195(317)159(97(18)254)250-188(310)127(71-98-36-38-102(255)39-37-98)235-183(305)132(77-145(206)262)239-184(306)133(78-146(207)263)242-194(316)157(94(15)21-2)247-175(297)120(50-61-153(276)277)225-162(284)109(35-29-64-211-197(208)209)219-185(307)134(79-154(278)279)240-180(302)128(73-100-82-213-107-33-26-24-31-104(100)107)236-172(294)116(46-57-149(268)269)224-174(296)121(62-65-320-19)217-161(283)105(199)72-99-81-212-106-32-25-23-30-103(99)106/h23-26,30-33,36-39,81-83,87-97,105,108-138,156-159,212-213,251-255H,20-22,27-29,34-35,40-80,84-86,198-199H2,1-19H3,(H2,200,256)(H2,201,257)(H2,202,258)(H2,203,259)(H2,204,260)(H2,205,261)(H2,206,262)(H2,207,263)(H,210,214)(H,215,298)(H,216,282)(H,217,283)(H,218,289)(H,219,307)(H,220,288)(H,221,287)(H,222,286)(H,223,290)(H,224,296)(H,225,284)(H,226,304)(H,227,299)(H,228,311)(H,229,314)(H,230,292)(H,231,293)(H,232,300)(H,233,312)(H,234,313)(H,235,305)(H,236,294)(H,237,285)(H,238,291)(H,239,306)(H,240,302)(H,241,315)(H,242,316)(H,243,301)(H,244,295)(H,245,303)(H,246,317)(H,247,297)(H,248,308)(H,249,309)(H,250,310)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,318,319)(H4,208,209,211)/t93-,94-,95-,96-,97+,105-,108-,109-,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-,156-,157-,158-,159-/m0/s1

InChIKey

CYNKLEFHVGBILQ-WDBKWUSUSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-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]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]butanedioic acid

Related CIDs

• CID 129909355