Twmewdreinnyislihslieesqnqqekneqelleld

Structural Information

Molecular Formula

C₂₀₁H₃₀₇N₅₃O₇₀S

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)CC)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](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/C201H307N53O70S/c1-20-96(15)160(196(319)233-122(51-63-156(279)280)172(295)226-121(50-62-155(277)278)177(300)248-139(87-255)193(316)232-115(44-56-145(207)262)173(296)242-134(79-147(209)264)185(308)229-114(43-55-144(206)261)169(292)222-112(41-53-142(204)259)167(290)224-116(45-57-150(267)268)170(293)220-110(35-28-29-66-202)166(289)241-133(78-146(208)263)186(309)231-117(46-58-151(269)270)171(294)223-113(42-54-143(205)260)168(291)225-118(47-59-152(271)272)174(297)234-126(70-92(7)8)181(304)236-125(69-91(5)6)180(303)230-120(49-61-154(275)276)175(298)235-127(71-93(9)10)182(305)247-138(200(323)324)83-159(285)286)252-190(313)128(72-94(11)12)237-194(317)140(88-256)249-184(307)132(77-103-86-214-90-218-103)245-197(320)162(98(17)22-3)253-191(314)129(73-95(13)14)238-195(318)141(89-257)250-199(322)163(99(18)23-4)254-192(315)130(74-100-37-39-104(258)40-38-100)239-187(310)135(80-148(210)265)243-188(311)136(81-149(211)266)246-198(321)161(97(16)21-2)251-179(302)123(52-64-157(281)282)228-165(288)111(36-30-67-215-201(212)213)221-189(312)137(82-158(283)284)244-183(306)131(76-102-85-217-109-34-27-25-32-106(102)109)240-176(299)119(48-60-153(273)274)227-178(301)124(65-68-325-19)219-164(287)107(203)75-101-84-216-108-33-26-24-31-105(101)108/h24-27,31-34,37-40,84-86,90-99,107,110-141,160-163,216-217,255-258H,20-23,28-30,35-36,41-83,87-89,202-203H2,1-19H3,(H2,204,259)(H2,205,260)(H2,206,261)(H2,207,262)(H2,208,263)(H2,209,264)(H2,210,265)(H2,211,266)(H,214,218)(H,219,287)(H,220,293)(H,221,312)(H,222,292)(H,223,294)(H,224,290)(H,225,291)(H,226,295)(H,227,301)(H,228,288)(H,229,308)(H,230,303)(H,231,309)(H,232,316)(H,233,319)(H,234,297)(H,235,298)(H,236,304)(H,237,317)(H,238,318)(H,239,310)(H,240,299)(H,241,289)(H,242,296)(H,243,311)(H,244,306)(H,245,320)(H,246,321)(H,247,305)(H,248,300)(H,249,307)(H,250,322)(H,251,302)(H,252,313)(H,253,314)(H,254,315)(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,285,286)(H,323,324)(H4,212,213,215)/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-,160-,161-,162-,163-/m0/s1

InChIKey

CPHYBMYLOIFPLY-CEMATQSGSA-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,3S)-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-methylpentanoyl]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]-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 129909412