Twmewdreinnytslihslieesqnkqekneqelleld

Structural Information

Molecular Formula

C₂₀₀H₃₀₇N₅₃O₇₀S

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](CCCCN)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](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/C200H307N53O70S/c1-19-96(14)159(195(318)232-122(51-62-155(278)279)171(294)225-121(50-61-154(276)277)176(299)247-139(87-254)192(315)231-115(44-55-144(206)261)172(295)241-134(79-146(208)263)184(307)228-114(43-54-143(205)260)167(290)219-110(35-26-28-65-201)164(287)223-116(45-56-149(266)267)169(292)220-111(36-27-29-66-202)166(289)240-133(78-145(207)262)185(308)230-117(46-57-150(268)269)170(293)222-113(42-53-142(204)259)168(291)224-118(47-58-151(270)271)173(296)233-126(70-92(6)7)180(303)235-125(69-91(4)5)179(302)229-120(49-60-153(274)275)174(297)234-127(71-93(8)9)181(304)246-138(199(322)323)83-158(284)285)251-189(312)128(72-94(10)11)236-193(316)140(88-255)248-183(306)132(77-103-86-213-90-217-103)244-196(319)161(98(16)21-3)252-190(313)129(73-95(12)13)237-194(317)141(89-256)249-198(321)162(99(17)257)253-191(314)130(74-100-38-40-104(258)41-39-100)238-186(309)135(80-147(209)264)242-187(310)136(81-148(210)265)245-197(320)160(97(15)20-2)250-178(301)123(52-63-156(280)281)227-165(288)112(37-30-67-214-200(211)212)221-188(311)137(82-157(282)283)243-182(305)131(76-102-85-216-109-34-25-23-32-106(102)109)239-175(298)119(48-59-152(272)273)226-177(300)124(64-68-324-18)218-163(286)107(203)75-101-84-215-108-33-24-22-31-105(101)108/h22-25,31-34,38-41,84-86,90-99,107,110-141,159-162,215-216,254-258H,19-21,26-30,35-37,42-83,87-89,201-203H2,1-18H3,(H2,204,259)(H2,205,260)(H2,206,261)(H2,207,262)(H2,208,263)(H2,209,264)(H2,210,265)(H,213,217)(H,218,286)(H,219,290)(H,220,292)(H,221,311)(H,222,293)(H,223,287)(H,224,291)(H,225,294)(H,226,300)(H,227,288)(H,228,307)(H,229,302)(H,230,308)(H,231,315)(H,232,318)(H,233,296)(H,234,297)(H,235,303)(H,236,316)(H,237,317)(H,238,309)(H,239,298)(H,240,289)(H,241,295)(H,242,310)(H,243,305)(H,244,319)(H,245,320)(H,246,304)(H,247,299)(H,248,306)(H,249,321)(H,250,301)(H,251,312)(H,252,313)(H,253,314)(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,282,283)(H,284,285)(H,322,323)(H4,211,212,214)/t96-,97-,98-,99+,107-,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-,141-,159-,160-,161-,162-/m0/s1

InChIKey

MJCJJIUHPKGLCC-RMIPWASSSA-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)-6-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]hexanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]butanedioic acid

Related CIDs

• CID 129908894