Twmewdreinnytslihslieesqnqiekneqelleld

Structural Information

Molecular Formula

C₂₀₀H₃₀₆N₅₂O₇₀S

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](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)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)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](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)CC)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/C200H306N52O70S/c1-21-95(15)158(194(316)229-120(50-61-153(275)276)168(290)218-110(36-29-30-65-201)165(287)238-132(77-144(206)261)184(306)227-115(45-56-148(265)266)167(289)220-112(42-53-141(203)258)166(288)221-116(46-57-149(267)268)171(293)231-125(69-91(7)8)179(301)233-124(68-90(5)6)178(300)226-118(48-59-151(271)272)172(294)232-126(70-92(9)10)180(302)244-137(199(321)322)82-157(283)284)248-176(298)114(44-55-143(205)260)225-183(305)133(78-145(207)262)239-170(292)113(43-54-142(204)259)228-191(313)138(86-253)245-174(296)119(49-60-152(273)274)222-169(291)121(51-62-154(277)278)230-195(317)159(96(16)22-2)250-188(310)127(71-93(11)12)234-192(314)139(87-254)246-182(304)131(76-103-85-212-89-216-103)242-196(318)161(98(18)24-4)251-189(311)128(72-94(13)14)235-193(315)140(88-255)247-198(320)162(99(19)256)252-190(312)129(73-100-38-40-104(257)41-39-100)236-185(307)134(79-146(208)263)240-186(308)135(80-147(209)264)243-197(319)160(97(17)23-3)249-177(299)122(52-63-155(279)280)224-164(286)111(37-31-66-213-200(210)211)219-187(309)136(81-156(281)282)241-181(303)130(75-102-84-215-109-35-28-26-33-106(102)109)237-173(295)117(47-58-150(269)270)223-175(297)123(64-67-323-20)217-163(285)107(202)74-101-83-214-108-34-27-25-32-105(101)108/h25-28,32-35,38-41,83-85,89-99,107,110-140,158-162,214-215,253-257H,21-24,29-31,36-37,42-82,86-88,201-202H2,1-20H3,(H2,203,258)(H2,204,259)(H2,205,260)(H2,206,261)(H2,207,262)(H2,208,263)(H2,209,264)(H,212,216)(H,217,285)(H,218,290)(H,219,309)(H,220,289)(H,221,288)(H,222,291)(H,223,297)(H,224,286)(H,225,305)(H,226,300)(H,227,306)(H,228,313)(H,229,316)(H,230,317)(H,231,293)(H,232,294)(H,233,301)(H,234,314)(H,235,315)(H,236,307)(H,237,295)(H,238,287)(H,239,292)(H,240,308)(H,241,303)(H,242,318)(H,243,319)(H,244,302)(H,245,296)(H,246,304)(H,247,320)(H,248,298)(H,249,299)(H,250,310)(H,251,311)(H,252,312)(H,265,266)(H,267,268)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,321,322)(H4,210,211,213)/t95-,96-,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-,158-,159-,160-,161-,162-/m0/s1

InChIKey

YTRMXQHPYYDFNM-HPYVYDJSSA-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,3S)-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]-3-methylpentanoyl]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 129908895